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

C10H19N5O2 — CID 80850604

IUPAC3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCCCNc1cc(NCC(O)CO)nc(N)n1
InChIInChI=1S/C10H19N5O2/c1-2-3-12-8-4-9(15-10(11)14-8)13-5-7(17)6-16/h4,7,16-17H,2-3,5-6H2,1H3,(H4,11,12,13,14,15)
InChIKeyPRUVXXNKOBTANK-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.35
Rot. Bonds7

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

3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol (PubChem CID 80850604) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
PubChem CID80850604
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
SMILESCCCNc1cc(NCC(O)CO)nc(N)n1
InChIInChI=1S/C10H19N5O2/c1-2-3-12-8-4-9(15-10(11)14-8)13-5-7(17)6-16/h4,7,16-17H,2-3,5-6H2,1H3,(H4,11,12,13,14,15)
InChIKeyPRUVXXNKOBTANK-UHFFFAOYSA-N
XLogP-0.35
TPSA116.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-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

4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80850772
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80753696
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80851001
4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80846411
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
1-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-2-ol
CID 106773146
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol (CID 80850604) is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol is CCCNc1cc(NCC(O)CO)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
The InChIKey is PRUVXXNKOBTANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-2-3-12-8-4-9(15-10(11)14-8)13-5-7(17)6-16/h4,7,16-17H,2-3,5-6H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol?
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol has a molecular weight of 241.29 g/mol, XLogP of -0.35, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 80850604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).