6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine

C15H17ClN4 — CID 80971568

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(C3CC3)nc(Cl)c2C)cn1
InChIInChI=1S/C15H17ClN4/c1-9-3-4-11(7-17-9)8-18-14-10(2)13(16)19-15(20-14)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,19,20)
InChIKeySDWKCDLJLQTGJW-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.63
Rot. Bonds4

About 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 80971568) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID80971568
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2nc(C3CC3)nc(Cl)c2C)cn1
InChIInChI=1S/C15H17ClN4/c1-9-3-4-11(7-17-9)8-18-14-10(2)13(16)19-15(20-14)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,19,20)
InChIKeySDWKCDLJLQTGJW-UHFFFAOYSA-N
XLogP3.63
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine (CID 80971568) is 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine is Cc1ccc(CNc2nc(C3CC3)nc(Cl)c2C)cn1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is SDWKCDLJLQTGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-9-3-4-11(7-17-9)8-18-14-10(2)13(16)19-15(20-14)12-5-6-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 288.78 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80971568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).