3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol

C8H14N4O2 — CID 116796093

IUPAC3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1nccc(N)n1
InChIInChI=1S/C8H14N4O2/c1-8(14,5-13)4-11-7-10-3-2-6(9)12-7/h2-3,13-14H,4-5H2,1H3,(H3,9,10,11,12)
InChIKeyPRSZOWKPEIEAQE-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.79
Rot. Bonds4

About 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol

3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 116796093) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
PubChem CID116796093
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNc1nccc(N)n1
InChIInChI=1S/C8H14N4O2/c1-8(14,5-13)4-11-7-10-3-2-6(9)12-7/h2-3,13-14H,4-5H2,1H3,(H3,9,10,11,12)
InChIKeyPRSZOWKPEIEAQE-UHFFFAOYSA-N
XLogP-0.79
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-aminopyrimidin-2-yl)amino]-2,2-difluoropropan-1-ol
CID 106174497
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439
2-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296048
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170315
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 116797252
2-[(4-aminopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 115978168
2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
CID 130791698
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
(2S)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 99719031

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol (CID 116796093) is 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNc1nccc(N)n1.
What is the InChIKey of 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is PRSZOWKPEIEAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(14,5-13)4-11-7-10-3-2-6(9)12-7/h2-3,13-14H,4-5H2,1H3,(H3,9,10,11,12).
What are the key properties of 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol?
3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 198.23 g/mol, XLogP of -0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 116796093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).