6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

C15H17ClN4 — CID 80951090

IUPAC6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CN(C)c2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C15H17ClN4/c1-10-4-3-5-12(17-10)9-20(2)14-8-13(16)18-15(19-14)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3
InChIKeyAOJFJJQGOZJEGO-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.35
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 80951090) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID80951090
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CN(C)c2cc(Cl)nc(C3CC3)n2)n1
InChIInChI=1S/C15H17ClN4/c1-10-4-3-5-12(17-10)9-20(2)14-8-13(16)18-15(19-14)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3
InChIKeyAOJFJJQGOZJEGO-UHFFFAOYSA-N
XLogP3.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (CID 80951090) is 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is Cc1cccc(CN(C)c2cc(Cl)nc(C3CC3)n2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is AOJFJJQGOZJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-10-4-3-5-12(17-10)9-20(2)14-8-13(16)18-15(19-14)11-6-7-11/h3-5,8,11H,6-7,9H2,1-2H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 288.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80951090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).