1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine

C9H13ClN4 — CID 87290230

IUPAC1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C9H13ClN4/c1-13(2)7-4-14(5-7)9-3-8(10)11-6-12-9/h3,6-7H,4-5H2,1-2H3
InChIKeySOKYDRIVFONVNS-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.88
Rot. Bonds2

About 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine

1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine (PubChem CID 87290230) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine
PubChem CID87290230
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C9H13ClN4/c1-13(2)7-4-14(5-7)9-3-8(10)11-6-12-9/h3,6-7H,4-5H2,1-2H3
InChIKeySOKYDRIVFONVNS-UHFFFAOYSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine (CID 87290230) is 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine is CN(C)C1CN(c2cc(Cl)ncn2)C1.
What is the InChIKey of 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine?
The InChIKey is SOKYDRIVFONVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-13(2)7-4-14(5-7)9-3-8(10)11-6-12-9/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine?
1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine has a molecular weight of 212.68 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrimidin-4-yl)-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 87290230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).