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

C9H15N3O2 — CID 66327238

IUPAC3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCOc1cc(NCC(C)CO)ncn1
InChIInChI=1S/C9H15N3O2/c1-7(5-13)4-10-8-3-9(14-2)12-6-11-8/h3,6-7,13H,4-5H2,1-2H3,(H,10,11,12)
InChIKeyBLJLXGNVBSGDTN-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.53
Rot. Bonds5

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

3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol (PubChem CID 66327238) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
PubChem CID66327238
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCOc1cc(NCC(C)CO)ncn1
InChIInChI=1S/C9H15N3O2/c1-7(5-13)4-10-8-3-9(14-2)12-6-11-8/h3,6-7,13H,4-5H2,1-2H3,(H,10,11,12)
InChIKeyBLJLXGNVBSGDTN-UHFFFAOYSA-N
XLogP0.53
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
2-[(6-methoxypyrimidin-4-yl)amino]propane-1,3-diol
CID 66327855
2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
CID 45242537
3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 103153890
N-(6-ethoxypyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303214
N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
CID 115366138
N-(2-chloro-2-phenylethyl)-6-methoxypyrimidin-4-amine
CID 66317864
1-(azepan-1-yl)-3-[(6-methoxypyrimidin-4-yl)amino]propan-2-ol
CID 50980830
N-ethyl-2-[(6-methoxypyrimidin-4-yl)amino]acetamide
CID 66327427
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
CID 66333180
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol (CID 66327238) is 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol is COc1cc(NCC(C)CO)ncn1.
What is the InChIKey of 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The InChIKey is BLJLXGNVBSGDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(5-13)4-10-8-3-9(14-2)12-6-11-8/h3,6-7,13H,4-5H2,1-2H3,(H,10,11,12).
What are the key properties of 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol?
3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol has a molecular weight of 197.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 66327238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).