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

C10H18N4O2 — CID 112634963

IUPAC3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol
SMILESCOc1cc(C)nc(NCC(N)C(C)O)n1
InChIInChI=1S/C10H18N4O2/c1-6-4-9(16-3)14-10(13-6)12-5-8(11)7(2)15/h4,7-8,15H,5,11H2,1-3H3,(H,12,13,14)
InChIKeyWCSHNYGNSYPRAD-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.09
Rot. Bonds5

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

3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol (PubChem CID 112634963) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol
PubChem CID112634963
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol
SMILESCOc1cc(C)nc(NCC(N)C(C)O)n1
InChIInChI=1S/C10H18N4O2/c1-6-4-9(16-3)14-10(13-6)12-5-8(11)7(2)15/h4,7-8,15H,5,11H2,1-3H3,(H,12,13,14)
InChIKeyWCSHNYGNSYPRAD-UHFFFAOYSA-N
XLogP-0.09
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
3-amino-4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 64541513
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 112635894
N-(2-ethylhexyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 107816517
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 115633959

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol (CID 112634963) is 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol is COc1cc(C)nc(NCC(N)C(C)O)n1.
What is the InChIKey of 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is WCSHNYGNSYPRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6-4-9(16-3)14-10(13-6)12-5-8(11)7(2)15/h4,7-8,15H,5,11H2,1-3H3,(H,12,13,14).
What are the key properties of 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol?
3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 226.28 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 112634963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).