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

C17H27N3 — CID 24930468

IUPAC2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CN(CC1CCCC1)CC2
InChIInChI=1S/C17H27N3/c1-17(2,3)16-18-10-14-8-9-20(12-15(14)19-16)11-13-6-4-5-7-13/h10,13H,4-9,11-12H2,1-3H3
InChIKeyKEEHARYXZPIVNY-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.32
Rot. Bonds2

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

2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930468) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930468
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CN(CC1CCCC1)CC2
InChIInChI=1S/C17H27N3/c1-17(2,3)16-18-10-14-8-9-20(12-15(14)19-16)11-13-6-4-5-7-13/h10,13H,4-9,11-12H2,1-3H3
InChIKeyKEEHARYXZPIVNY-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930470
2-(4-chlorophenyl)-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930464
3-[(2-tert-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-methyl-1,2-oxazole
CID 24931119
2-tert-butyl-7-[(2,6-dichloro-3-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930699
2-tert-butyl-7-[(1-methylindol-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930615
7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931513
2-tert-butyl-5,6,7,8-tetrahydroquinazoline
CID 18736797
6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241435
2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 95612716
2-cyclohexyl-7-(2-methylpropyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930526
2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917203
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
CID 81425609

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930468) is 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC(C)(C)c1ncc2c(n1)CN(CC1CCCC1)CC2.
What is the InChIKey of 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is KEEHARYXZPIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2,3)16-18-10-14-8-9-20(12-15(14)19-16)11-13-6-4-5-7-13/h10,13H,4-9,11-12H2,1-3H3.
What are the key properties of 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 273.42 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(cyclopentylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).