2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol

C13H16N4O — CID 80830612

IUPAC2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESNc1nccc(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C13H16N4O/c14-13-15-7-6-12(17-13)16-11(9-18)8-10-4-2-1-3-5-10/h1-7,11,18H,8-9H2,(H3,14,15,16,17)
InChIKeyVLMTXUPBWHMCEG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.07
Rot. Bonds5

About 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol

2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 80830612) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID80830612
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESNc1nccc(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C13H16N4O/c14-13-15-7-6-12(17-13)16-11(9-18)8-10-4-2-1-3-5-10/h1-7,11,18H,8-9H2,(H3,14,15,16,17)
InChIKeyVLMTXUPBWHMCEG-UHFFFAOYSA-N
XLogP1.07
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80828045
2-[(4-amino-5-methyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 83265448
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
CID 80813524
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80914656
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]pyridine-3-carboxamide
CID 78998923
(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95325911
2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 115669387
2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 107874683
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
CID 122064202

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 80830612) is 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol is Nc1nccc(NC(CO)Cc2ccccc2)n1.
What is the InChIKey of 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is VLMTXUPBWHMCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-13-15-7-6-12(17-13)16-11(9-18)8-10-4-2-1-3-5-10/h1-7,11,18H,8-9H2,(H3,14,15,16,17).
What are the key properties of 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 244.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 80830612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).