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

C17H25N3 — CID 24930470

IUPAC7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1nc(CC2CC2)nc2c1CCN(CC1CCCC1)C2
InChIInChI=1S/C17H25N3/c1-2-4-14(3-1)11-20-8-7-15-10-18-17(9-13-5-6-13)19-16(15)12-20/h10,13-14H,1-9,11-12H2
InChIKeyUHCHMADXOAHUCA-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.98
Rot. Bonds4

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

7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930470) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930470
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1nc(CC2CC2)nc2c1CCN(CC1CCCC1)C2
InChIInChI=1S/C17H25N3/c1-2-4-14(3-1)11-20-8-7-15-10-18-17(9-13-5-6-13)19-16(15)12-20/h10,13-14H,1-9,11-12H2
InChIKeyUHCHMADXOAHUCA-UHFFFAOYSA-N
XLogP2.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930470) is 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1nc(CC2CC2)nc2c1CCN(CC1CCCC1)C2.
What is the InChIKey of 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is UHCHMADXOAHUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-4-14(3-1)11-20-8-7-15-10-18-17(9-13-5-6-13)19-16(15)12-20/h10,13-14H,1-9,11-12H2.
What are the key properties of 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 271.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).