2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol

C11H20N4O — CID 107541812

IUPAC2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol
SMILESCc1cc(CN)nc(N(CCO)C(C)C)n1
InChIInChI=1S/C11H20N4O/c1-8(2)15(4-5-16)11-13-9(3)6-10(7-12)14-11/h6,8,16H,4-5,7,12H2,1-3H3
InChIKeyBJPIICKMUIXXSL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.45
Rot. Bonds5

About 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol

2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol (PubChem CID 107541812) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol
PubChem CID107541812
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol
SMILESCc1cc(CN)nc(N(CCO)C(C)C)n1
InChIInChI=1S/C11H20N4O/c1-8(2)15(4-5-16)11-13-9(3)6-10(7-12)14-11/h6,8,16H,4-5,7,12H2,1-3H3
InChIKeyBJPIICKMUIXXSL-UHFFFAOYSA-N
XLogP0.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
[6-methyl-2-[methyl(propan-2-yl)amino]pyrimidin-4-yl]methanol
CID 130485751
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 112635420
[2-[ethyl(1-methoxypropan-2-yl)amino]-6-methylpyrimidin-4-yl]methanol
CID 114219884
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide
CID 107541774
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide
CID 107547034
4-(aminomethyl)-N-cyclopentyl-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 107542143
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 107541801
2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 54999005
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol (CID 107541812) is 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol is Cc1cc(CN)nc(N(CCO)C(C)C)n1.
What is the InChIKey of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol?
The InChIKey is BJPIICKMUIXXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)15(4-5-16)11-13-9(3)6-10(7-12)14-11/h6,8,16H,4-5,7,12H2,1-3H3.
What are the key properties of 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol?
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol has a molecular weight of 224.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 107541812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).