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

C14H22ClN3 — CID 79350090

IUPAC6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H22ClN3/c1-6-9-11(15)17-8-18-12(9)16-7-10-13(2,3)14(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyPGKZGJDCWPTIGY-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.79
Rot. Bonds4

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

6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (PubChem CID 79350090) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
PubChem CID79350090
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCC1C(C)(C)C1(C)C
InChIInChI=1S/C14H22ClN3/c1-6-9-11(15)17-8-18-12(9)16-7-10-13(2,3)14(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyPGKZGJDCWPTIGY-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine (CID 79350090) is 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1NCC1C(C)(C)C1(C)C.
What is the InChIKey of 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
The InChIKey is PGKZGJDCWPTIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-6-9-11(15)17-8-18-12(9)16-7-10-13(2,3)14(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17,18).
What are the key properties of 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79350090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).