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

C13H22ClN3O — CID 80951387

IUPAC1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C13H22ClN3O/c1-6-17(8-13(4,5)18)11-7-10(14)15-12(16-11)9(2)3/h7,9,18H,6,8H2,1-5H3
InChIKeyHRWKGDHXNUQDGC-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.85
Rot. Bonds5

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

1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 80951387) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID80951387
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C13H22ClN3O/c1-6-17(8-13(4,5)18)11-7-10(14)15-12(16-11)9(2)3/h7,9,18H,6,8H2,1-5H3
InChIKeyHRWKGDHXNUQDGC-UHFFFAOYSA-N
XLogP2.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80969607
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951461
6-chloro-N-ethyl-N-(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953498
6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80947381
6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953358
1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 79385487
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80953303
N'-ethyl-2,2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 79661617
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953158
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80958659
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107201810
1-[ethyl-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 80942101

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (CID 80951387) is 1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is HRWKGDHXNUQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-6-17(8-13(4,5)18)11-7-10(14)15-12(16-11)9(2)3/h7,9,18H,6,8H2,1-5H3.
What are the key properties of 1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.85, 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-propan-2-ylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80951387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).