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

C10H18N4O — CID 104557123

IUPAC2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCCNc1nccc(N(C)C(C)CO)n1
InChIInChI=1S/C10H18N4O/c1-4-11-10-12-6-5-9(13-10)14(3)8(2)7-15/h5-6,8,15H,4,7H2,1-3H3,(H,11,12,13)
InChIKeyAWCXYUVWFMPQJG-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.73
Rot. Bonds5

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

2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol (PubChem CID 104557123) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
PubChem CID104557123
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCCNc1nccc(N(C)C(C)CO)n1
InChIInChI=1S/C10H18N4O/c1-4-11-10-12-6-5-9(13-10)14(3)8(2)7-15/h5-6,8,15H,4,7H2,1-3H3,(H,11,12,13)
InChIKeyAWCXYUVWFMPQJG-UHFFFAOYSA-N
XLogP0.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80792942
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-[[2-(ethylamino)-4-pyridinyl]-methylamino]propan-1-ol
CID 104557112
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779125
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
CID 80808665
N-ethyl-4-propan-2-ylsulfanylpyrimidin-2-amine
CID 80886558
2-N-ethyl-4-N-(2-fluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 80817458
2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80840076
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol (CID 104557123) is 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol is CCNc1nccc(N(C)C(C)CO)n1.
What is the InChIKey of 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is AWCXYUVWFMPQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-11-10-12-6-5-9(13-10)14(3)8(2)7-15/h5-6,8,15H,4,7H2,1-3H3,(H,11,12,13).
What are the key properties of 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 104557123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).