2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C14H14ClN3O2 — CID 106472857

IUPAC2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Cl)c1-c1nc(N)c2c(n1)CCOC2
InChIInChI=1S/C14H14ClN3O2/c1-19-11-4-2-3-9(15)12(11)14-17-10-5-6-20-7-8(10)13(16)18-14/h2-4H,5-7H2,1H3,(H2,16,17,18)
InChIKeyCVJKXMKTSFFRFX-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.46
Rot. Bonds2

About 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472857) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472857
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Cl)c1-c1nc(N)c2c(n1)CCOC2
InChIInChI=1S/C14H14ClN3O2/c1-19-11-4-2-3-9(15)12(11)14-17-10-5-6-20-7-8(10)13(16)18-14/h2-4H,5-7H2,1H3,(H2,16,17,18)
InChIKeyCVJKXMKTSFFRFX-UHFFFAOYSA-N
XLogP2.46
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696391
2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471995
[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104818402
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 104818200
2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472866
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
[2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473417
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
CID 136982295
7,8-dimethoxy-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 106473119
N-ethyl-2-(2-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472423

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472857) is 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is COc1cccc(Cl)c1-c1nc(N)c2c(n1)CCOC2.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is CVJKXMKTSFFRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-19-11-4-2-3-9(15)12(11)14-17-10-5-6-20-7-8(10)13(16)18-14/h2-4H,5-7H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 291.74 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).