N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

C22H32N6 — CID 133297091

IUPACN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NCc3ccc(N4CCCCCC4)nc3)ncn2)C1
InChIInChI=1S/C22H32N6/c1-18-7-6-12-28(16-18)22-13-20(25-17-26-22)23-14-19-8-9-21(24-15-19)27-10-4-2-3-5-11-27/h8-9,13,15,17-18H,2-7,10-12,14,16H2,1H3,(H,23,25,26)
InChIKeyZJIBQIVBCWGHEC-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.10
Rot. Bonds5

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 133297091) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID133297091
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC NameN-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN(c2cc(NCc3ccc(N4CCCCCC4)nc3)ncn2)C1
InChIInChI=1S/C22H32N6/c1-18-7-6-12-28(16-18)22-13-20(25-17-26-22)23-14-19-8-9-21(24-15-19)27-10-4-2-3-5-11-27/h8-9,13,15,17-18H,2-7,10-12,14,16H2,1H3,(H,23,25,26)
InChIKeyZJIBQIVBCWGHEC-UHFFFAOYSA-N
XLogP4.10
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133300410
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133309531
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133298860
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
(1E)-2,3-dimethyl-N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]buta-1,3-dien-1-amine
CID 166718902
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine (CID 133297091) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is CC1CCCN(c2cc(NCc3ccc(N4CCCCCC4)nc3)ncn2)C1.
What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is ZJIBQIVBCWGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-18-7-6-12-28(16-18)22-13-20(25-17-26-22)23-14-19-8-9-21(24-15-19)27-10-4-2-3-5-11-27/h8-9,13,15,17-18H,2-7,10-12,14,16H2,1H3,(H,23,25,26).
What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine?
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 380.54 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 133297091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).