1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

C13H20ClN3O — CID 80951461

IUPAC1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3O/c1-4-17(8-13(2,3)18)11-7-10(14)15-12(16-11)9-5-6-9/h7,9,18H,4-6,8H2,1-3H3
InChIKeyLKWAXOCLJXHPFH-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.60
Rot. Bonds5

About 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 80951461) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID80951461
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3O/c1-4-17(8-13(2,3)18)11-7-10(14)15-12(16-11)9-5-6-9/h7,9,18H,4-6,8H2,1-3H3
InChIKeyLKWAXOCLJXHPFH-UHFFFAOYSA-N
XLogP2.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80951237
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80969713
N-butyl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80948383
1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951387
N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80953404
6-chloro-N-cyclohexyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80949356
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80951707
6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine
CID 80953241
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 79385487
6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953921
N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 80953088

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (CID 80951461) is 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is LKWAXOCLJXHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-17(8-13(2,3)18)11-7-10(14)15-12(16-11)9-5-6-9/h7,9,18H,4-6,8H2,1-3H3.
What are the key properties of 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 269.78 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80951461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).