N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine

C13H20ClN3 — CID 80953404

IUPACN-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCC(C)N(CC)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3/c1-4-9(3)17(5-2)12-8-11(14)15-13(16-12)10-6-7-10/h8-10H,4-7H2,1-3H3
InChIKeyRVPXNVZCAZGTBF-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.63
Rot. Bonds5

About N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine

N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80953404) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80953404
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC NameN-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCC(C)N(CC)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3/c1-4-9(3)17(5-2)12-8-11(14)15-13(16-12)10-6-7-10/h8-10H,4-7H2,1-3H3
InChIKeyRVPXNVZCAZGTBF-UHFFFAOYSA-N
XLogP3.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80953404) is N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCC(C)N(CC)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is RVPXNVZCAZGTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-4-9(3)17(5-2)12-8-11(14)15-13(16-12)10-6-7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine?
N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80953404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).