6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

C12H19ClN4 — CID 63728704

IUPAC6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCN2CCCC2)n1
InChIInChI=1S/C12H19ClN4/c1-9-11(13)15-10(2)16-12(9)14-5-8-17-6-3-4-7-17/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyHSLIVZHZQUGKAE-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.25
Rot. Bonds4

About 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (PubChem CID 63728704) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
PubChem CID63728704
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCCN2CCCC2)n1
InChIInChI=1S/C12H19ClN4/c1-9-11(13)15-10(2)16-12(9)14-5-8-17-6-3-4-7-17/h3-8H2,1-2H3,(H,14,15,16)
InChIKeyHSLIVZHZQUGKAE-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine (CID 63728704) is 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCCN2CCCC2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
The InChIKey is HSLIVZHZQUGKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-9-11(13)15-10(2)16-12(9)14-5-8-17-6-3-4-7-17/h3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 63728704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).