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

C13H16N4O2 — CID 112559838

IUPAC2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESNc1cc(NC(CO)CO)nc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c14-11-6-12(15-10(7-18)8-19)17-13(16-11)9-4-2-1-3-5-9/h1-6,10,18-19H,7-8H2,(H3,14,15,16,17)
InChIKeyUNBLMYCDCYGKSB-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.49
Rot. Bonds5

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

2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 112559838) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID112559838
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESNc1cc(NC(CO)CO)nc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c14-11-6-12(15-10(7-18)8-19)17-13(16-11)9-4-2-1-3-5-9/h1-6,10,18-19H,7-8H2,(H3,14,15,16,17)
InChIKeyUNBLMYCDCYGKSB-UHFFFAOYSA-N
XLogP0.49
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]propane-1,3-diol
CID 115915673
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358096
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propanamide
CID 112559814
3-[2-[(6-amino-2-phenylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311691
3-methoxy-2-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]propan-1-ol
CID 106198815
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,3-diol
CID 106772304
4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 106332100
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 115915522
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol (CID 112559838) is 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol is Nc1cc(NC(CO)CO)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is UNBLMYCDCYGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-11-6-12(15-10(7-18)8-19)17-13(16-11)9-4-2-1-3-5-9/h1-6,10,18-19H,7-8H2,(H3,14,15,16,17).
What are the key properties of 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol?
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 260.30 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 112559838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).