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

C15H22ClN3 — CID 107414813

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC1CCC(C)C1
InChIInChI=1S/C15H22ClN3/c1-9-3-4-11(7-9)8-17-14-10(2)13(16)18-15(19-14)12-5-6-12/h9,11-12H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyBKSWFNJHXYXBJC-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.16
Rot. Bonds4

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

6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine (PubChem CID 107414813) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
PubChem CID107414813
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCC1CCC(C)C1
InChIInChI=1S/C15H22ClN3/c1-9-3-4-11(7-9)8-17-14-10(2)13(16)18-15(19-14)12-5-6-12/h9,11-12H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyBKSWFNJHXYXBJC-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine (CID 107414813) is 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCC1CCC(C)C1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
The InChIKey is BKSWFNJHXYXBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-9-3-4-11(7-9)8-17-14-10(2)13(16)18-15(19-14)12-5-6-12/h9,11-12H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine has a molecular weight of 279.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 107414813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).