2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol

C9H17N5O3 — CID 107855657

IUPAC2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCNc1cc(NC(CO)(CO)CO)nc(N)n1
InChIInChI=1S/C9H17N5O3/c1-11-6-2-7(13-8(10)12-6)14-9(3-15,4-16)5-17/h2,15-17H,3-5H2,1H3,(H4,10,11,12,13,14)
InChIKeyHNIXAPPWDGQTNW-UHFFFAOYSA-N
MW243.27 g/mol
LogP-1.77
Rot. Bonds6

About 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107855657) has the molecular formula C9H17N5O3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107855657
Molecular FormulaC9H17N5O3
Molecular Weight243.27 g/mol
Exact Mass243.13
IUPAC Name2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCNc1cc(NC(CO)(CO)CO)nc(N)n1
InChIInChI=1S/C9H17N5O3/c1-11-6-2-7(13-8(10)12-6)14-9(3-15,4-16)5-17/h2,15-17H,3-5H2,1H3,(H4,10,11,12,13,14)
InChIKeyHNIXAPPWDGQTNW-UHFFFAOYSA-N
XLogP-1.77
TPSA136.55 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.27
LogP ≤ 5-1.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)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-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80778887
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179284
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-ethylbutan-1-ol
CID 114564895
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-(3-ethylpentan-3-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80915909
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80967917
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
CID 113293339
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855136
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
CID 79880391
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107855657) is 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol is CNc1cc(NC(CO)(CO)CO)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is HNIXAPPWDGQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3/c1-11-6-2-7(13-8(10)12-6)14-9(3-15,4-16)5-17/h2,15-17H,3-5H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 243.27 g/mol, XLogP of -1.77, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107855657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).