3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

C10H18N4O — CID 115366465

IUPAC3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCc1cnc(N)nc1NCC(C)(C)CO
InChIInChI=1S/C10H18N4O/c1-7-4-12-9(11)14-8(7)13-5-10(2,3)6-15/h4,15H,5-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyCOFDBDASTPVGGW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.80
Rot. Bonds4

About 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366465) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115366465
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCc1cnc(N)nc1NCC(C)(C)CO
InChIInChI=1S/C10H18N4O/c1-7-4-12-9(11)14-8(7)13-5-10(2,3)6-15/h4,15H,5-6H2,1-3H3,(H3,11,12,13,14)
InChIKeyCOFDBDASTPVGGW-UHFFFAOYSA-N
XLogP0.80
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115366465) is 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is Cc1cnc(N)nc1NCC(C)(C)CO.
What is the InChIKey of 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is COFDBDASTPVGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-4-12-9(11)14-8(7)13-5-10(2,3)6-15/h4,15H,5-6H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).