3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol

C10H18N4O2 — CID 80851174

IUPAC3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCc1nc(N)c(C)c(NCC(C)(O)CO)n1
InChIInChI=1S/C10H18N4O2/c1-6-8(11)13-7(2)14-9(6)12-4-10(3,16)5-15/h15-16H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyIOPSNUYYBRDTGW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.17
Rot. Bonds4

About 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol

3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 80851174) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
PubChem CID80851174
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCc1nc(N)c(C)c(NCC(C)(O)CO)n1
InChIInChI=1S/C10H18N4O2/c1-6-8(11)13-7(2)14-9(6)12-4-10(3,16)5-15/h15-16H,4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyIOPSNUYYBRDTGW-UHFFFAOYSA-N
XLogP-0.17
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol (CID 80851174) is 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol is Cc1nc(N)c(C)c(NCC(C)(O)CO)n1.
What is the InChIKey of 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is IOPSNUYYBRDTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6-8(11)13-7(2)14-9(6)12-4-10(3,16)5-15/h15-16H,4-5H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 226.28 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 80851174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).