N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine

C24H42N6 — CID 66903567

IUPACN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine
SMILESCCCN1CCC(N2CCCCC(Nc3nccc(N4CCCCCC4)n3)C2)CC1
InChIInChI=1S/C24H42N6/c1-2-14-28-18-11-22(12-19-28)30-17-8-5-9-21(20-30)26-24-25-13-10-23(27-24)29-15-6-3-4-7-16-29/h10,13,21-22H,2-9,11-12,14-20H2,1H3,(H,25,26,27)
InChIKeyLNRHMQHGZRSYBQ-UHFFFAOYSA-N
MW414.64 g/mol
LogP4.00
Rot. Bonds6

About N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine

N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine (PubChem CID 66903567) has the molecular formula C24H42N6 and a molecular weight of 414.64 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine
PubChem CID66903567
Molecular FormulaC24H42N6
Molecular Weight414.64 g/mol
Exact Mass414.35
IUPAC NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine
SMILESCCCN1CCC(N2CCCCC(Nc3nccc(N4CCCCCC4)n3)C2)CC1
InChIInChI=1S/C24H42N6/c1-2-14-28-18-11-22(12-19-28)30-17-8-5-9-21(20-30)26-24-25-13-10-23(27-24)29-15-6-3-4-7-16-29/h10,13,21-22H,2-9,11-12,14-20H2,1H3,(H,25,26,27)
InChIKeyLNRHMQHGZRSYBQ-UHFFFAOYSA-N
XLogP4.00
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
CID 66904387
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine
CID 66903248
4-(azepan-1-yl)-N-(1-cyclooctylpyrrolidin-3-yl)pyrimidin-2-amine
CID 66904117
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]azepan-1-yl]piperidin-1-yl]propan-1-one
CID 66903973
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]azepan-1-yl]piperidin-1-yl]pentan-1-one
CID 66903713
4-(azepan-1-yl)-N-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 10428560
N-[1-(4-aminocyclohexyl)piperidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine
CID 66904457
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-2-methylpentan-1-one
CID 66903475
4-(azepan-1-yl)-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66904612
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]azepan-1-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 66904690
[4-[(3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexyl]-cyclohexylmethanone
CID 66904075
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]piperidin-1-yl]-2-propylpentan-1-one
CID 66904157

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine?
The IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine (CID 66903567) is N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine.
What is the SMILES notation for N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine?
The canonical SMILES for N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine is CCCN1CCC(N2CCCCC(Nc3nccc(N4CCCCCC4)n3)C2)CC1.
What is the InChIKey of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine?
The InChIKey is LNRHMQHGZRSYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6/c1-2-14-28-18-11-22(12-19-28)30-17-8-5-9-21(20-30)26-24-25-13-10-23(27-24)29-15-6-3-4-7-16-29/h10,13,21-22H,2-9,11-12,14-20H2,1H3,(H,25,26,27).
What are the key properties of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine?
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine has a molecular weight of 414.64 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine is sourced from PubChem (CID 66903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).