2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol

C13H16N4O — CID 79916251

IUPAC2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESNc1cncnc1NC(CO)Cc1ccccc1
InChIInChI=1S/C13H16N4O/c14-12-7-15-9-16-13(12)17-11(8-18)6-10-4-2-1-3-5-10/h1-5,7,9,11,18H,6,8,14H2,(H,15,16,17)
InChIKeyBZFIFSYKNOBNIU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.07
Rot. Bonds5

About 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol

2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 79916251) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID79916251
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESNc1cncnc1NC(CO)Cc1ccccc1
InChIInChI=1S/C13H16N4O/c14-12-7-15-9-16-13(12)17-11(8-18)6-10-4-2-1-3-5-10/h1-5,7,9,11,18H,6,8,14H2,(H,15,16,17)
InChIKeyBZFIFSYKNOBNIU-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-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80907050
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
(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 140546721
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 115669387
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 80828721
2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
2-[(5-aminopyrimidin-4-yl)amino]-1-phenylethanol
CID 79915703

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 79916251) is 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol is Nc1cncnc1NC(CO)Cc1ccccc1.
What is the InChIKey of 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is BZFIFSYKNOBNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-12-7-15-9-16-13(12)17-11(8-18)6-10-4-2-1-3-5-10/h1-5,7,9,11,18H,6,8,14H2,(H,15,16,17).
What are the key properties of 2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
2-[(5-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-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 79916251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).