2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C13H20N4 — CID 105491818

IUPAC2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCC2)nc2c1CCNC2
InChIInChI=1S/C13H20N4/c1-14-13-10-6-7-15-8-11(10)16-12(17-13)9-4-2-3-5-9/h9,15H,2-8H2,1H3,(H,14,16,17)
InChIKeyTVLDHZZOFHNSHF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.82
Rot. Bonds2

About 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 105491818) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID105491818
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCC2)nc2c1CCNC2
InChIInChI=1S/C13H20N4/c1-14-13-10-6-7-15-8-11(10)16-12(17-13)9-4-2-3-5-9/h9,15H,2-8H2,1H3,(H,14,16,17)
InChIKeyTVLDHZZOFHNSHF-UHFFFAOYSA-N
XLogP1.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
N-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 155901618
N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 175661679
1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082226
2-(4-fluorophenyl)-1-[(2R)-2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95836494
1-[2-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082221
2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105474414
7-ethylsulfonyl-N-methyl-2-piperidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 92625472
(2R)-3-[(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]propane-1,2-diol
CID 95867985
N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 110262146
N,N-diethyl-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 110262139
2-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 110265879

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 105491818) is 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CNc1nc(C2CCCC2)nc2c1CCNC2.
What is the InChIKey of 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is TVLDHZZOFHNSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-14-13-10-6-7-15-8-11(10)16-12(17-13)9-4-2-3-5-9/h9,15H,2-8H2,1H3,(H,14,16,17).
What are the key properties of 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 232.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 105491818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).