2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol

C15H25N3O — CID 144678176

IUPAC2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol
SMILESCc1nc(C(C)(C)O)nc(N[C@H](C)C2CCC2)c1C
InChIInChI=1S/C15H25N3O/c1-9-10(2)17-14(15(4,5)19)18-13(9)16-11(3)12-7-6-8-12/h11-12,19H,6-8H2,1-5H3,(H,16,17,18)/t11-/m1/s1
InChIKeyAEQMJMNQBPNHMY-LLVKDONJSA-N
MW263.38 g/mol
LogP2.92
Rot. Bonds4

About 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol

2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol (PubChem CID 144678176) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol
PubChem CID144678176
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol
SMILESCc1nc(C(C)(C)O)nc(N[C@H](C)C2CCC2)c1C
InChIInChI=1S/C15H25N3O/c1-9-10(2)17-14(15(4,5)19)18-13(9)16-11(3)12-7-6-8-12/h11-12,19H,6-8H2,1-5H3,(H,16,17,18)/t11-/m1/s1
InChIKeyAEQMJMNQBPNHMY-LLVKDONJSA-N
XLogP2.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol with MolForge

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Related Compounds

2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984630
2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
CID 80978132
3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol
CID 123910770
2-[6-(1-cyclobutylethylamino)-7-methyl-8-(4-propan-2-yl-2-pyridinyl)purin-2-yl]propan-2-ol
CID 134467643
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985622
2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875671
N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007115
4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80827161
2-[6-(1-cyclobutylethylamino)-7-[(4-ethynylcyclohexyl)methyl]-8-(4-propan-2-yl-2-pyridinyl)purin-2-yl]propan-2-ol
CID 123535544
2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
CID 81131400

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol (CID 144678176) is 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol is Cc1nc(C(C)(C)O)nc(N[C@H](C)C2CCC2)c1C.
What is the InChIKey of 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol?
The InChIKey is AEQMJMNQBPNHMY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N3O/c1-9-10(2)17-14(15(4,5)19)18-13(9)16-11(3)12-7-6-8-12/h11-12,19H,6-8H2,1-5H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol?
2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 144678176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).