N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

C15H24N4 — CID 117102200

IUPACN-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
SMILESc1nc2c(c(NCC3CCCCC3)n1)CCNCC2
InChIInChI=1S/C15H24N4/c1-2-4-12(5-3-1)10-17-15-13-6-8-16-9-7-14(13)18-11-19-15/h11-12,16H,1-10H2,(H,17,18,19)
InChIKeyCSKUFPJPQBHRLJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.16
Rot. Bonds3

About N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (PubChem CID 117102200) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
PubChem CID117102200
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
SMILESc1nc2c(c(NCC3CCCCC3)n1)CCNCC2
InChIInChI=1S/C15H24N4/c1-2-4-12(5-3-1)10-17-15-13-6-8-16-9-7-14(13)18-11-19-15/h11-12,16H,1-10H2,(H,17,18,19)
InChIKeyCSKUFPJPQBHRLJ-UHFFFAOYSA-N
XLogP2.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 117101707
cyclopropyl-[4-[(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)methyl]piperidin-1-yl]methanone
CID 56893346
1-cyclopentyl-4-[(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)methyl]pyrrolidin-2-one;dihydrochloride
CID 154888861
N-(2-cyclohexylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115144863
N-[(3-methylcyclopentyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 107414057
2-cyclohexyl-N-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetamide
CID 11847672
N-[2-(4-fluorophenoxy)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56917544
N-[(1,1-dioxothiolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833160
N-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80586380
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56890220
N-(cyclohexylmethyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 59346447
1-pyrrolidin-1-yl-3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)propan-2-ol
CID 56902636

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine (CID 117102200) is N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is c1nc2c(c(NCC3CCCCC3)n1)CCNCC2.
What is the InChIKey of N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
The InChIKey is CSKUFPJPQBHRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-4-12(5-3-1)10-17-15-13-6-8-16-9-7-14(13)18-11-19-15/h11-12,16H,1-10H2,(H,17,18,19).
What are the key properties of N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine?
N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine is sourced from PubChem (CID 117102200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).