6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine

C13H20ClN3 — CID 79350691

IUPAC6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H20ClN3/c1-8-10(14)16-7-17-11(8)15-6-9-12(2,3)13(9,4)5/h7,9H,6H2,1-5H3,(H,15,16,17)
InChIKeyKXIOEJKOXLWTBO-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.53
Rot. Bonds3

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

6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 79350691) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID79350691
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H20ClN3/c1-8-10(14)16-7-17-11(8)15-6-9-12(2,3)13(9,4)5/h7,9H,6H2,1-5H3,(H,15,16,17)
InChIKeyKXIOEJKOXLWTBO-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (CID 79350691) is 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is Cc1c(Cl)ncnc1NCC1C(C)(C)C1(C)C.
What is the InChIKey of 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is KXIOEJKOXLWTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-8-10(14)16-7-17-11(8)15-6-9-12(2,3)13(9,4)5/h7,9H,6H2,1-5H3,(H,15,16,17).
What are the key properties of 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79350691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).