3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol

C11H20N4O — CID 80811129

IUPAC3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
SMILESCNc1nccc(N(CCCO)C(C)C)n1
InChIInChI=1S/C11H20N4O/c1-9(2)15(7-4-8-16)10-5-6-13-11(12-3)14-10/h5-6,9,16H,4,7-8H2,1-3H3,(H,12,13,14)
InChIKeyWQBKVFZAZYULLI-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.12
Rot. Bonds6

About 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol

3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol (PubChem CID 80811129) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
PubChem CID80811129
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
SMILESCNc1nccc(N(CCCO)C(C)C)n1
InChIInChI=1S/C11H20N4O/c1-9(2)15(7-4-8-16)10-5-6-13-11(12-3)14-10/h5-6,9,16H,4,7-8H2,1-3H3,(H,12,13,14)
InChIKeyWQBKVFZAZYULLI-UHFFFAOYSA-N
XLogP1.12
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80905657
2-hydrazinyl-N-propan-2-yl-N-propylpyrimidin-4-amine
CID 80895366
6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636803
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80795078
2-methyl-1-[methyl-[2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848543
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865476
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 61146387
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol (CID 80811129) is 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol is CNc1nccc(N(CCCO)C(C)C)n1.
What is the InChIKey of 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
The InChIKey is WQBKVFZAZYULLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)15(7-4-8-16)10-5-6-13-11(12-3)14-10/h5-6,9,16H,4,7-8H2,1-3H3,(H,12,13,14).
What are the key properties of 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol?
3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 80811129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).