4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C14H17N3O3 — CID 136975643

IUPAC4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(CO)Cc2ccccc2)nc[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-20-12-13(15-9-16-14(12)19)17-11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H2,15,16,17,19)
InChIKeyDNPIYPOXQYZNDS-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.79
Rot. Bonds6

About 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136975643) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136975643
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(CO)Cc2ccccc2)nc[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-20-12-13(15-9-16-14(12)19)17-11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H2,15,16,17,19)
InChIKeyDNPIYPOXQYZNDS-UHFFFAOYSA-N
XLogP0.79
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxy-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975601
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972316
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-methoxycyclobut-3-ene-1,2-dione
CID 90665606
4-[(1-amino-3-phenylpropan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137008406
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63261058
2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
CID 136959393
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 136974783
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137016272
(2S)-2-[(2-chloro-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 56622135
2-[(2-amino-7H-purin-6-yl)amino]-3-phenylpropan-1-ol
CID 115669387

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136975643) is 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(CO)Cc2ccccc2)nc[nH]c1=O.
What is the InChIKey of 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is DNPIYPOXQYZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-12-13(15-9-16-14(12)19)17-11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H2,15,16,17,19).
What are the key properties of 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 275.31 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136975643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).