3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol

C10H17N3O2 — CID 112691802

IUPAC3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
SMILESCOc1cc(C)nc(NCC(C)CO)n1
InChIInChI=1S/C10H17N3O2/c1-7(6-14)5-11-10-12-8(2)4-9(13-10)15-3/h4,7,14H,5-6H2,1-3H3,(H,11,12,13)
InChIKeyGWDOXRDFNIRRSN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.83
Rot. Bonds5

About 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 112691802) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
PubChem CID112691802
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
SMILESCOc1cc(C)nc(NCC(C)CO)n1
InChIInChI=1S/C10H17N3O2/c1-7(6-14)5-11-10-12-8(2)4-9(13-10)15-3/h4,7,14H,5-6H2,1-3H3,(H,11,12,13)
InChIKeyGWDOXRDFNIRRSN-UHFFFAOYSA-N
XLogP0.83
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol
CID 112634963
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
N-(2-ethylhexyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 107816517
4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 115633959
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637759
4,6-dimethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 62694170
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol (CID 112691802) is 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol is COc1cc(C)nc(NCC(C)CO)n1.
What is the InChIKey of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is GWDOXRDFNIRRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(6-14)5-11-10-12-8(2)4-9(13-10)15-3/h4,7,14H,5-6H2,1-3H3,(H,11,12,13).
What are the key properties of 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol?
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 112691802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).