4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C15H25N5 — CID 66908167

IUPAC4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESc1cc(N2CCCCCC2)nc(NCC2CCCN2)n1
InChIInChI=1S/C15H25N5/c1-2-4-11-20(10-3-1)14-7-9-17-15(19-14)18-12-13-6-5-8-16-13/h7,9,13,16H,1-6,8,10-12H2,(H,17,18,19)
InChIKeyLKJCLFWWIIZTGI-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.02
Rot. Bonds4

About 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 66908167) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID66908167
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESc1cc(N2CCCCCC2)nc(NCC2CCCN2)n1
InChIInChI=1S/C15H25N5/c1-2-4-11-20(10-3-1)14-7-9-17-15(19-14)18-12-13-6-5-8-16-13/h7,9,13,16H,1-6,8,10-12H2,(H,17,18,19)
InChIKeyLKJCLFWWIIZTGI-UHFFFAOYSA-N
XLogP2.02
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
4-(azepan-1-yl)-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 66903623
N-(piperidin-3-ylmethyl)-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 71564412
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
CID 90747007
4-(azepan-1-yl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 66903722
4-(azepan-1-yl)-N-[[1-(2-ethylbutyl)pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 66903067
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
4-(azepan-1-yl)-N-[(1-hexylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 66904014
4-(azepan-1-yl)-N-tert-butylpyrimidin-2-amine
CID 112899807

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 66908167) is 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is c1cc(N2CCCCCC2)nc(NCC2CCCN2)n1.
What is the InChIKey of 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is LKJCLFWWIIZTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-2-4-11-20(10-3-1)14-7-9-17-15(19-14)18-12-13-6-5-8-16-13/h7,9,13,16H,1-6,8,10-12H2,(H,17,18,19).
What are the key properties of 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 66908167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).