2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol

C12H22N4O — CID 80980902

IUPAC2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
SMILESCNc1nc(C(C)C)nc(N(C)CCO)c1C
InChIInChI=1S/C12H22N4O/c1-8(2)10-14-11(13-4)9(3)12(15-10)16(5)6-7-17/h8,17H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyPYJRIFZWVBOQRO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.38
Rot. Bonds5

About 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol

2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol (PubChem CID 80980902) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
PubChem CID80980902
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
SMILESCNc1nc(C(C)C)nc(N(C)CCO)c1C
InChIInChI=1S/C12H22N4O/c1-8(2)10-14-11(13-4)9(3)12(15-10)16(5)6-7-17/h8,17H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyPYJRIFZWVBOQRO-UHFFFAOYSA-N
XLogP1.38
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]ethanol
CID 81001694
1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80982737
4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80983504
4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986468
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207600
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80993955
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 102875528
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998896
4-N-(1-methoxypropan-2-yl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986345
4-N,6-N,2,5-tetramethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81067453
2-[ethyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 103104381

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol (CID 80980902) is 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol is CNc1nc(C(C)C)nc(N(C)CCO)c1C.
What is the InChIKey of 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol?
The InChIKey is PYJRIFZWVBOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)10-14-11(13-4)9(3)12(15-10)16(5)6-7-17/h8,17H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol?
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80980902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).