2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H30N4O — CID 24917203

IUPAC2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CCN(Cc1cccnc1OC1CCCC1)C2
InChIInChI=1S/C22H30N4O/c1-22(2,3)21-24-13-17-15-26(12-10-19(17)25-21)14-16-7-6-11-23-20(16)27-18-8-4-5-9-18/h6-7,11,13,18H,4-5,8-10,12,14-15H2,1-3H3
InChIKeyYSNSNDQHNGKHGN-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.05
Rot. Bonds4

About 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917203) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24917203
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CCN(Cc1cccnc1OC1CCCC1)C2
InChIInChI=1S/C22H30N4O/c1-22(2,3)21-24-13-17-15-26(12-10-19(17)25-21)14-16-7-6-11-23-20(16)27-18-8-4-5-9-18/h6-7,11,13,18H,4-5,8-10,12,14-15H2,1-3H3
InChIKeyYSNSNDQHNGKHGN-UHFFFAOYSA-N
XLogP4.05
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802
6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917202
2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911135
2-tert-butyl-6-[(3-chloro-4-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915251
2-tert-butyl-6-[(4-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913806
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
2-tert-butyl-6-[(2-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928610
6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917249
6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917187

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917203) is 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)(C)c1ncc2c(n1)CCN(Cc1cccnc1OC1CCCC1)C2.
What is the InChIKey of 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YSNSNDQHNGKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-22(2,3)21-24-13-17-15-26(12-10-19(17)25-21)14-16-7-6-11-23-20(16)27-18-8-4-5-9-18/h6-7,11,13,18H,4-5,8-10,12,14-15H2,1-3H3.
What are the key properties of 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 366.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).