6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine

C14H20ClN3 — CID 114109149

IUPAC6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine
SMILESCCC1(CNc2cc(Cl)nc(C3CC3)n2)CCC1
InChIInChI=1S/C14H20ClN3/c1-2-14(6-3-7-14)9-16-12-8-11(15)17-13(18-12)10-4-5-10/h8,10H,2-7,9H2,1H3,(H,16,17,18)
InChIKeyNIXFXOVIJUFOTO-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.00
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine (PubChem CID 114109149) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine
PubChem CID114109149
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine
SMILESCCC1(CNc2cc(Cl)nc(C3CC3)n2)CCC1
InChIInChI=1S/C14H20ClN3/c1-2-14(6-3-7-14)9-16-12-8-11(15)17-13(18-12)10-4-5-10/h8,10H,2-7,9H2,1H3,(H,16,17,18)
InChIKeyNIXFXOVIJUFOTO-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 54.00
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-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine (CID 114109149) is 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine is CCC1(CNc2cc(Cl)nc(C3CC3)n2)CCC1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine?
The InChIKey is NIXFXOVIJUFOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-2-14(6-3-7-14)9-16-12-8-11(15)17-13(18-12)10-4-5-10/h8,10H,2-7,9H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine has a molecular weight of 265.79 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114109149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).