N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C15H24N4 — CID 112884053

IUPACN-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESc1cc(NC2CCCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4/c1-2-4-8-13(7-3-1)17-14-9-10-16-15(18-14)19-11-5-6-12-19/h9-10,13H,1-8,11-12H2,(H,16,17,18)
InChIKeyAZECVHOMVGLVJG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.21
Rot. Bonds3

About N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine

N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112884053) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112884053
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESc1cc(NC2CCCCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4/c1-2-4-8-13(7-3-1)17-14-9-10-16-15(18-14)19-11-5-6-12-19/h9-10,13H,1-8,11-12H2,(H,16,17,18)
InChIKeyAZECVHOMVGLVJG-UHFFFAOYSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-cyclohexyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884822
N-(1,1-dioxothiolan-3-yl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884026
N-cyclohexyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884796
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
ethyl 4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 112884037
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078978
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900765

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112884053) is N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine is c1cc(NC2CCCCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is AZECVHOMVGLVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-4-8-13(7-3-1)17-14-9-10-16-15(18-14)19-11-5-6-12-19/h9-10,13H,1-8,11-12H2,(H,16,17,18).
What are the key properties of N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112884053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).