6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

C14H17N3O3 — CID 146334475

IUPAC6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(NCc2cccc(O)c2)[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-9(2)17-13(19)7-12(16-14(17)20)15-8-10-4-3-5-11(18)6-10/h3-7,9,15,18H,8H2,1-2H3,(H,16,20)
InChIKeyFVLWFYLQHLKPPU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.44
Rot. Bonds4

About 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione

6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 146334475) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID146334475
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(NCc2cccc(O)c2)[nH]c1=O
InChIInChI=1S/C14H17N3O3/c1-9(2)17-13(19)7-12(16-14(17)20)15-8-10-4-3-5-11(18)6-10/h3-7,9,15,18H,8H2,1-2H3,(H,16,20)
InChIKeyFVLWFYLQHLKPPU-UHFFFAOYSA-N
XLogP1.44
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334434
6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione
CID 90489804
3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione
CID 146334414
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
N-[4-[(3-hydroxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 43683747
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione
CID 163377856
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 54903835

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 146334475) is 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(NCc2cccc(O)c2)[nH]c1=O.
What is the InChIKey of 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is FVLWFYLQHLKPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)17-13(19)7-12(16-14(17)20)15-8-10-4-3-5-11(18)6-10/h3-7,9,15,18H,8H2,1-2H3,(H,16,20).
What are the key properties of 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146334475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).