6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine

C12H16ClN3 — CID 115875734

IUPAC6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine
SMILESCC1(Nc2cc(Cl)nc(C3CC3)n2)CCC1
InChIInChI=1S/C12H16ClN3/c1-12(5-2-6-12)16-10-7-9(13)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyDEUWKJGHMNTHMX-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.36
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine (PubChem CID 115875734) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine
PubChem CID115875734
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine
SMILESCC1(Nc2cc(Cl)nc(C3CC3)n2)CCC1
InChIInChI=1S/C12H16ClN3/c1-12(5-2-6-12)16-10-7-9(13)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,15,16)
InChIKeyDEUWKJGHMNTHMX-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 80950899
2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80967565
6-chloro-2-cyclopropyl-N-[(1-ethylcyclobutyl)methyl]pyrimidin-4-amine
CID 114109149
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80951495
6-chloro-N-(1-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80546866
6-chloro-N-(1-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767917
6-chloro-2-cyclopropyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82463101
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009409
6-chloro-2-cyclopropyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114406
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine
CID 82994870
6-chloro-2-(ethoxymethyl)-N-(1-methylcyclohexyl)pyrimidin-4-amine
CID 113400931

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine (CID 115875734) is 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine is CC1(Nc2cc(Cl)nc(C3CC3)n2)CCC1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine?
The InChIKey is DEUWKJGHMNTHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-12(5-2-6-12)16-10-7-9(13)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine has a molecular weight of 237.73 g/mol, XLogP of 3.36, 3 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-methylcyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 115875734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).