2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine

C10H15ClN4 — CID 62481987

IUPAC2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CCN(C)C2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-5-9(14-10(11)12-7)13-8-3-4-15(2)6-8/h5,8H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyLJJQNBNVBQSYBS-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.55
Rot. Bonds2

About 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine

2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine (PubChem CID 62481987) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
PubChem CID62481987
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CCN(C)C2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-5-9(14-10(11)12-7)13-8-3-4-15(2)6-8/h5,8H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyLJJQNBNVBQSYBS-UHFFFAOYSA-N
XLogP1.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine (CID 62481987) is 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine is Cc1cc(NC2CCN(C)C2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
The InChIKey is LJJQNBNVBQSYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-5-9(14-10(11)12-7)13-8-3-4-15(2)6-8/h5,8H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine?
2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 62481987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).