5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine

C11H17ClN4 — CID 80828943

IUPAC5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCCC2(C)C)n1
InChIInChI=1S/C11H17ClN4/c1-11(2)5-4-6-16(11)9-8(12)7-14-10(13-3)15-9/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyKIAOAAVPTDHKDN-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.55
Rot. Bonds2

About 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine

5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 80828943) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
PubChem CID80828943
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCCC2(C)C)n1
InChIInChI=1S/C11H17ClN4/c1-11(2)5-4-6-16(11)9-8(12)7-14-10(13-3)15-9/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyKIAOAAVPTDHKDN-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine (CID 80828943) is 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(N2CCCC2(C)C)n1.
What is the InChIKey of 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is KIAOAAVPTDHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-11(2)5-4-6-16(11)9-8(12)7-14-10(13-3)15-9/h7H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine?
5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 240.74 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80828943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).