N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C15H24N4 — CID 115144863

IUPACN-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESc1nc2c(c(NCCC3CCCCC3)n1)CNCC2
InChIInChI=1S/C15H24N4/c1-2-4-12(5-3-1)6-9-17-15-13-10-16-8-7-14(13)18-11-19-15/h11-12,16H,1-10H2,(H,17,18,19)
InChIKeyUWPYIQSTUVXZND-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds4

About N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115144863) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115144863
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESc1nc2c(c(NCCC3CCCCC3)n1)CNCC2
InChIInChI=1S/C15H24N4/c1-2-4-12(5-3-1)6-9-17-15-13-10-16-8-7-14(13)18-11-19-15/h11-12,16H,1-10H2,(H,17,18,19)
InChIKeyUWPYIQSTUVXZND-UHFFFAOYSA-N
XLogP2.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117102200
N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101707
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103990755
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide
CID 11847672
N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56741664
4-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 102612202
5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
CID 106812243
N-(2-cyclohexylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 100658073
N-(2-cyclohexylethyl)-1H-imidazol-2-amine
CID 106563344

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115144863) is N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is c1nc2c(c(NCCC3CCCCC3)n1)CNCC2.
What is the InChIKey of N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UWPYIQSTUVXZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-4-12(5-3-1)6-9-17-15-13-10-16-8-7-14(13)18-11-19-15/h11-12,16H,1-10H2,(H,17,18,19).
What are the key properties of N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115144863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).