(4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine

C15H24N4 — CID 97208809

IUPAC(4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
SMILESCN(C)[C@H]1CCCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C15H24N4/c1-18(2)13-4-3-8-19(9-7-13)15-10-14(12-5-6-12)16-11-17-15/h10-13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyIJZWEWLDMLADBR-ZDUSSCGKSA-N
MW260.38 g/mol
LogP2.27
Rot. Bonds3

About (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine

(4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine (PubChem CID 97208809) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine.

Molecular Properties

Compound Name(4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
PubChem CID97208809
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name(4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
SMILESCN(C)[C@H]1CCCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C15H24N4/c1-18(2)13-4-3-8-19(9-7-13)15-10-14(12-5-6-12)16-11-17-15/h10-13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyIJZWEWLDMLADBR-ZDUSSCGKSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine?
The IUPAC name of (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine (CID 97208809) is (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine.
What is the SMILES notation for (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine?
The canonical SMILES for (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine is CN(C)[C@H]1CCCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine?
The InChIKey is IJZWEWLDMLADBR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4/c1-18(2)13-4-3-8-19(9-7-13)15-10-14(12-5-6-12)16-11-17-15/h10-13H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine?
(4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine is sourced from PubChem (CID 97208809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).