(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone

C19H18N4OS — CID 154799814

IUPAC(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone
SMILESCc1ccc(-c2ccsc2C(=O)N2CCc3nc(N)ncc3C2)cc1
InChIInChI=1S/C19H18N4OS/c1-12-2-4-13(5-3-12)15-7-9-25-17(15)18(24)23-8-6-16-14(11-23)10-21-19(20)22-16/h2-5,7,9-10H,6,8,11H2,1H3,(H2,20,21,22)
InChIKeyMYBUTLJCAPBQSW-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.29
Rot. Bonds2

About (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone

(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone (PubChem CID 154799814) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone
PubChem CID154799814
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone
SMILESCc1ccc(-c2ccsc2C(=O)N2CCc3nc(N)ncc3C2)cc1
InChIInChI=1S/C19H18N4OS/c1-12-2-4-13(5-3-12)15-7-9-25-17(15)18(24)23-8-6-16-14(11-23)10-21-19(20)22-16/h2-5,7,9-10H,6,8,11H2,1H3,(H2,20,21,22)
InChIKeyMYBUTLJCAPBQSW-UHFFFAOYSA-N
XLogP3.29
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methylphenyl)thiophen-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134044933
1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 68679098
[1-[3-(4-methylphenyl)thiophene-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51255293
1,4-diazepan-1-yl-[3-(4-methylphenyl)thiophen-2-yl]methanone;hydrochloride
CID 119414236
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 112800363
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-methylthiophen-2-yl)methanone
CID 135087912
6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 143852547
[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 55917383
(4-fluorophenyl)-[2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53146954
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 60556502
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(4-thiophen-2-ylphenyl)methanone
CID 72719472
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 31475610

Frequently Asked Questions

What is the IUPAC name of (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone?
The IUPAC name of (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone (CID 154799814) is (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone.
What is the SMILES notation for (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone?
The canonical SMILES for (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone is Cc1ccc(-c2ccsc2C(=O)N2CCc3nc(N)ncc3C2)cc1.
What is the InChIKey of (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone?
The InChIKey is MYBUTLJCAPBQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12-2-4-13(5-3-12)15-7-9-25-17(15)18(24)23-8-6-16-14(11-23)10-21-19(20)22-16/h2-5,7,9-10H,6,8,11H2,1H3,(H2,20,21,22).
What are the key properties of (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone?
(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone has a molecular weight of 350.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone is sourced from PubChem (CID 154799814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).