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

C21H35N5 — CID 66903248

IUPACN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine
SMILESc1cc(N2CCCCCC2)nc(NC2CCCCN(C3CCCC3)C2)n1
InChIInChI=1S/C21H35N5/c1-2-7-15-25(14-6-1)20-12-13-22-21(24-20)23-18-9-5-8-16-26(17-18)19-10-3-4-11-19/h12-13,18-19H,1-11,14-17H2,(H,22,23,24)
InChIKeyRGYBHVBOOVSUGA-UHFFFAOYSA-N
MW357.55 g/mol
LogP4.07
Rot. Bonds4

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

N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine (PubChem CID 66903248) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine
PubChem CID66903248
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine
SMILESc1cc(N2CCCCCC2)nc(NC2CCCCN(C3CCCC3)C2)n1
InChIInChI=1S/C21H35N5/c1-2-7-15-25(14-6-1)20-12-13-22-21(24-20)23-18-9-5-8-16-26(17-18)19-10-3-4-11-19/h12-13,18-19H,1-11,14-17H2,(H,22,23,24)
InChIKeyRGYBHVBOOVSUGA-UHFFFAOYSA-N
XLogP4.07
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
CID 66904387
4-(azepan-1-yl)-N-(1-cyclooctylpyrrolidin-3-yl)pyrimidin-2-amine
CID 66904117
N-[1-(4-aminocyclohexyl)piperidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine
CID 66904457
4-(azepan-1-yl)-N-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 10428560
[4-[(3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]cyclohexyl]-cyclohexylmethanone
CID 66904075
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine
CID 66903567
4-(azepan-1-yl)-N-[1-(thiolan-3-yl)piperidin-3-yl]pyrimidin-2-amine
CID 66904297
[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-cyclopropylmethanone
CID 66903611
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]azepan-1-yl]piperidin-1-yl]propan-1-one
CID 66903973
4-(azepan-1-yl)-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66904612
1-[3-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]ethanone
CID 66903349
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-[1-(benzenesulfonyl)piperidin-3-yl]azepan-3-amine
CID 66903733

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine?
The IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine (CID 66903248) is N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine.
What is the SMILES notation for N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine?
The canonical SMILES for N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine is c1cc(N2CCCCCC2)nc(NC2CCCCN(C3CCCC3)C2)n1.
What is the InChIKey of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine?
The InChIKey is RGYBHVBOOVSUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5/c1-2-7-15-25(14-6-1)20-12-13-22-21(24-20)23-18-9-5-8-16-26(17-18)19-10-3-4-11-19/h12-13,18-19H,1-11,14-17H2,(H,22,23,24).
What are the key properties of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine?
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine has a molecular weight of 357.55 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine is sourced from PubChem (CID 66903248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).