2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane

C21H24FN5O3 — CID 145089203

IUPAC2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane
SMILESC1CC1.CN1C(=O)C2CCOCC2(c2cc(Oc3cnccn3)ccc2F)N=C1N
InChIInChI=1S/C18H18FN5O3.C3H6/c1-24-16(25)12-4-7-26-10-18(12,23-17(24)20)13-8-11(2-3-14(13)19)27-15-9-21-5-6-22-15;1-2-3-1/h2-3,5-6,8-9,12H,4,7,10H2,1H3,(H2,20,23);1-3H2
InChIKeyPYWQKKHQAYODMQ-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.60
Rot. Bonds3

About 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane

2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane (PubChem CID 145089203) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane.

Molecular Properties

Compound Name2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane
PubChem CID145089203
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC Name2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane
SMILESC1CC1.CN1C(=O)C2CCOCC2(c2cc(Oc3cnccn3)ccc2F)N=C1N
InChIInChI=1S/C18H18FN5O3.C3H6/c1-24-16(25)12-4-7-26-10-18(12,23-17(24)20)13-8-11(2-3-14(13)19)27-15-9-21-5-6-22-15;1-2-3-1/h2-3,5-6,8-9,12H,4,7,10H2,1H3,(H2,20,23);1-3H2
InChIKeyPYWQKKHQAYODMQ-UHFFFAOYSA-N
XLogP2.60
TPSA102.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane with MolForge

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Related Compounds

(4aR,8aS)-2-amino-8a-[2-fluoro-5-[(4-methoxy-2-pyridinyl)oxy]phenyl]-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 155001039
2-[3-(2-amino-3-methyl-4-oxo-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-8a-yl)-4-fluorophenoxy]pyridine-4-carbonitrile
CID 145089223
2-amino-8a-[2-fluoro-5-(5-fluoropyrimidin-4-yl)oxyphenyl]-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 145089241
2-amino-8a-[2-fluoro-5-[[2-(1,2,4-triazol-1-yl)-4-pyridinyl]oxy]phenyl]-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane
CID 145089182
(4aR)-2-amino-8a-[5-(cyclopropylmethoxy)-2-fluorophenyl]-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 155001024
2-amino-8a-[2-fluoro-5-(2-methoxyethoxy)phenyl]-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 145089207
2-amino-3,8a-dimethyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane;2-(difluoromethyl)-4-(4-fluorophenoxy)pyridine
CID 145089238
2,8a-diamino-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;2-(4-fluorophenoxy)-3-methylpyrazine
CID 145089253
(4aR)-2-amino-3,8a-dimethyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;2,5-difluoro-3-(4-fluorophenoxy)pyridine
CID 145089175
(8aS)-2-amino-8a-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]-3,4a-dimethyl-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-4-one
CID 145089153
N-[3-(2-amino-3-methyl-4-oxo-5,7-dihydro-4aH-furo[3,4-d]pyrimidin-7a-yl)-4-fluorophenyl]-5-cyanopyrazine-2-carboxamide
CID 163828941
(4aS,7R,8aR)-4a-[5-[(4-chloro-3-pyridinyl)oxy]-2-fluorophenyl]-7-(1-methoxyethenyl)-2-methyl-8-methylidene-1,1-dioxo-5,8a-dihydropyrano[3,4-e][1,2,4]thiadiazin-3-amine
CID 166657574

Frequently Asked Questions

What is the IUPAC name of 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane?
The IUPAC name of 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane (CID 145089203) is 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane.
What is the SMILES notation for 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane?
The canonical SMILES for 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane is C1CC1.CN1C(=O)C2CCOCC2(c2cc(Oc3cnccn3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane?
The InChIKey is PYWQKKHQAYODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3.C3H6/c1-24-16(25)12-4-7-26-10-18(12,23-17(24)20)13-8-11(2-3-14(13)19)27-15-9-21-5-6-22-15;1-2-3-1/h2-3,5-6,8-9,12H,4,7,10H2,1H3,(H2,20,23);1-3H2.
What are the key properties of 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane?
2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane has a molecular weight of 413.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8a-(2-fluoro-5-pyrazin-2-yloxyphenyl)-3-methyl-4a,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one;cyclopropane is sourced from PubChem (CID 145089203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).