2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol

C9H15N3O2 — CID 107866127

IUPAC2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncccn1
InChIInChI=1S/C9H15N3O2/c1-2-9(6-13,7-14)12-8-10-4-3-5-11-8/h3-5,13-14H,2,6-7H2,1H3,(H,10,11,12)
InChIKeyTZDTZOVOJAVSRQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.02
Rot. Bonds5

About 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol

2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol (PubChem CID 107866127) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
PubChem CID107866127
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncccn1
InChIInChI=1S/C9H15N3O2/c1-2-9(6-13,7-14)12-8-10-4-3-5-11-8/h3-5,13-14H,2,6-7H2,1H3,(H,10,11,12)
InChIKeyTZDTZOVOJAVSRQ-UHFFFAOYSA-N
XLogP0.02
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-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

2-(Pyrimidin-2-ylamino)ethanol
CID 572714
3-[(2-Aminopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366516
(2R)-2-(pyrimidin-2-ylamino)butan-1-ol
CID 57328192
2-(tert-Butylamino)pyrimidine
CID 19428499
(2S)-2-[(2-chloropyrimidin-4-yl)amino]propan-1-ol
CID 94405683
Pyrimidylaminoethanol
CID 21557443
2-[(5-Chloropyrimidin-2-yl)amino]-2-methylpropane-1,3-diol
CID 71970958
(2R)-2-[(2-chloropyrimidin-4-yl)amino]propan-1-ol
CID 94405684
2-[[2-(1-Hydroxypent-4-en-2-ylamino)pyrimidin-4-yl]amino]pent-4-en-1-ol
CID 132364587
(2R)-2-[(4-chloropyrimidin-2-yl)amino]propan-1-ol
CID 134158121
(2S)-2-[(4-chloropyrimidin-2-yl)amino]propan-1-ol
CID 134158243
1-[2-[2-Hydroxyethyl(methyl)amino]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458210

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol (CID 107866127) is 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol is CCC(CO)(CO)Nc1ncccn1.
What is the InChIKey of 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol?
The InChIKey is TZDTZOVOJAVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-9(6-13,7-14)12-8-10-4-3-5-11-8/h3-5,13-14H,2,6-7H2,1H3,(H,10,11,12).
What are the key properties of 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol?
2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol has a molecular weight of 197.24 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(pyrimidin-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 107866127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).