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

C23H39N5 — CID 66904387

IUPACN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
SMILESc1cc(N2CCCCCC2)nc(NC2CCCCN(C3CCCCCC3)C2)n1
InChIInChI=1S/C23H39N5/c1-2-6-13-21(12-5-1)28-18-10-7-11-20(19-28)25-23-24-15-14-22(26-23)27-16-8-3-4-9-17-27/h14-15,20-21H,1-13,16-19H2,(H,24,25,26)
InChIKeyGHWCODFBBZCLJJ-UHFFFAOYSA-N
MW385.60 g/mol
LogP4.85
Rot. Bonds4

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

N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine (PubChem CID 66904387) has the molecular formula C23H39N5 and a molecular weight of 385.60 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
PubChem CID66904387
Molecular FormulaC23H39N5
Molecular Weight385.60 g/mol
Exact Mass385.32
IUPAC NameN-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
SMILESc1cc(N2CCCCCC2)nc(NC2CCCCN(C3CCCCCC3)C2)n1
InChIInChI=1S/C23H39N5/c1-2-6-13-21(12-5-1)28-18-10-7-11-20(19-28)25-23-24-15-14-22(26-23)27-16-8-3-4-9-17-27/h14-15,20-21H,1-13,16-19H2,(H,24,25,26)
InChIKeyGHWCODFBBZCLJJ-UHFFFAOYSA-N
XLogP4.85
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-cycloheptylazepan-3-amine?
The IUPAC name of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine (CID 66904387) is N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine.
What is the SMILES notation for N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine?
The canonical SMILES for N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine is c1cc(N2CCCCCC2)nc(NC2CCCCN(C3CCCCCC3)C2)n1.
What is the InChIKey of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine?
The InChIKey is GHWCODFBBZCLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5/c1-2-6-13-21(12-5-1)28-18-10-7-11-20(19-28)25-23-24-15-14-22(26-23)27-16-8-3-4-9-17-27/h14-15,20-21H,1-13,16-19H2,(H,24,25,26).
What are the key properties of N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine?
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine has a molecular weight of 385.60 g/mol, XLogP of 4.85, 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-cycloheptylazepan-3-amine is sourced from PubChem (CID 66904387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).