6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine

C11H16ClN3 — CID 63860494

IUPAC6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)CC2CC2C)n1
InChIInChI=1S/C11H16ClN3/c1-7-4-9(7)6-15(3)11-5-10(12)13-8(2)14-11/h5,7,9H,4,6H2,1-3H3
InChIKeyBMDMDUNSRJNHKY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.53
Rot. Bonds3

About 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine

6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 63860494) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID63860494
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(N(C)CC2CC2C)n1
InChIInChI=1S/C11H16ClN3/c1-7-4-9(7)6-15(3)11-5-10(12)13-8(2)14-11/h5,7,9H,4,6H2,1-3H3
InChIKeyBMDMDUNSRJNHKY-UHFFFAOYSA-N
XLogP2.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine (CID 63860494) is 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine is Cc1nc(Cl)cc(N(C)CC2CC2C)n1.
What is the InChIKey of 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is BMDMDUNSRJNHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-7-4-9(7)6-15(3)11-5-10(12)13-8(2)14-11/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine?
6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 225.72 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63860494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).