4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine

C10H16ClN5 — CID 80735813

IUPAC4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCC1CN(c2cc(Cl)nc(N)n2)CCN1C
InChIInChI=1S/C10H16ClN5/c1-7-6-16(4-3-15(7)2)9-5-8(11)13-10(12)14-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyVIJYOEDVYWNUEL-UHFFFAOYSA-N
MW241.73 g/mol
LogP0.85
Rot. Bonds1

About 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine

4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 80735813) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID80735813
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCC1CN(c2cc(Cl)nc(N)n2)CCN1C
InChIInChI=1S/C10H16ClN5/c1-7-6-16(4-3-15(7)2)9-5-8(11)13-10(12)14-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyVIJYOEDVYWNUEL-UHFFFAOYSA-N
XLogP0.85
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine (CID 80735813) is 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine is CC1CN(c2cc(Cl)nc(N)n2)CCN1C.
What is the InChIKey of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is VIJYOEDVYWNUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-7-6-16(4-3-15(7)2)9-5-8(11)13-10(12)14-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine?
4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 241.73 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80735813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).