1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol

C11H19N3O3 — CID 65103677

IUPAC1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol
SMILESCOc1ncnc(OC)c1CNCC(C)(C)O
InChIInChI=1S/C11H19N3O3/c1-11(2,15)6-12-5-8-9(16-3)13-7-14-10(8)17-4/h7,12,15H,5-6H2,1-4H3
InChIKeyRMQRTPVZRPWLRV-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.35
Rot. Bonds6

About 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol

1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol (PubChem CID 65103677) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol
PubChem CID65103677
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol
SMILESCOc1ncnc(OC)c1CNCC(C)(C)O
InChIInChI=1S/C11H19N3O3/c1-11(2,15)6-12-5-8-9(16-3)13-7-14-10(8)17-4/h7,12,15H,5-6H2,1-4H3
InChIKeyRMQRTPVZRPWLRV-UHFFFAOYSA-N
XLogP0.35
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66168958
6-[(4,6-dimethoxypyrimidin-5-yl)methylamino]hexan-1-ol
CID 107848836
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butan-2-ol
CID 64929900
2-[(4,6-dimethoxypyrimidin-5-yl)methylamino]ethyl carbamate
CID 83209239
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
CID 60864470
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-3-methylbutan-1-ol
CID 66092673
2-cyclohexyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 60919921
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982283
1-[(3-methoxypyrazin-2-yl)amino]-2-methylpropan-2-ol
CID 130962934
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,4,5-trifluoroaniline
CID 62809831
1-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 96666593

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol (CID 65103677) is 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol is COc1ncnc(OC)c1CNCC(C)(C)O.
What is the InChIKey of 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol?
The InChIKey is RMQRTPVZRPWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,15)6-12-5-8-9(16-3)13-7-14-10(8)17-4/h7,12,15H,5-6H2,1-4H3.
What are the key properties of 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol?
1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol has a molecular weight of 241.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 65103677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).