6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine

C12H18ClN3 — CID 80954067

IUPAC6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC(C)C2CC2)n1
InChIInChI=1S/C12H18ClN3/c1-7(2)12-15-10(13)6-11(16-12)14-8(3)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyLMTVHOMGCKKXGC-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.46
Rot. Bonds4

About 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80954067) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80954067
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC(C)C2CC2)n1
InChIInChI=1S/C12H18ClN3/c1-7(2)12-15-10(13)6-11(16-12)14-8(3)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyLMTVHOMGCKKXGC-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
CID 80950970
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951804
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80953864
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990
6-chloro-N-(1-cyclopropylethyl)pyridazin-3-amine
CID 43401136
N-(2-bicyclo[2.2.1]heptanyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 80951871
6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80953961
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80953144

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine (CID 80954067) is 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(NC(C)C2CC2)n1.
What is the InChIKey of 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LMTVHOMGCKKXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-7(2)12-15-10(13)6-11(16-12)14-8(3)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80954067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).