2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C22H23N3S — CID 24930974

IUPAC2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(-c2csc(CN3CCc4cnc(CC5CC5)nc4C3)c2)cc1
InChIInChI=1S/C22H23N3S/c1-2-4-17(5-3-1)19-11-20(26-15-19)13-25-9-8-18-12-23-22(10-16-6-7-16)24-21(18)14-25/h1-5,11-12,15-16H,6-10,13-14H2
InChIKeyGELMWMRKDVCQFQ-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.72
Rot. Bonds5

About 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930974) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930974
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Name2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(-c2csc(CN3CCc4cnc(CC5CC5)nc4C3)c2)cc1
InChIInChI=1S/C22H23N3S/c1-2-4-17(5-3-1)19-11-20(26-15-19)13-25-9-8-18-12-23-22(10-16-6-7-16)24-21(18)14-25/h1-5,11-12,15-16H,6-10,13-14H2
InChIKeyGELMWMRKDVCQFQ-UHFFFAOYSA-N
XLogP4.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole
CID 24931142
2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913489
2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931709
2-methylsulfanyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913484
7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930470
5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
CID 24931128
2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930926
7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931317
7-[(5-phenylthiophen-2-yl)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931162
2-[(2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930355
4-[7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931133
3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole
CID 24931129

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930974) is 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1ccc(-c2csc(CN3CCc4cnc(CC5CC5)nc4C3)c2)cc1.
What is the InChIKey of 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is GELMWMRKDVCQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3S/c1-2-4-17(5-3-1)19-11-20(26-15-19)13-25-9-8-18-12-23-22(10-16-6-7-16)24-21(18)14-25/h1-5,11-12,15-16H,6-10,13-14H2.
What are the key properties of 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 361.51 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).