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

C14H16ClN3O2 — CID 146334434

IUPAC6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(NCc2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C14H16ClN3O2/c1-9(2)18-13(19)7-12(17-14(18)20)16-8-10-4-3-5-11(15)6-10/h3-7,9,16H,8H2,1-2H3,(H,17,20)
InChIKeyYMXWWWXYVJLGPZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.38
Rot. Bonds4

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

6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 146334434) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID146334434
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(NCc2cccc(Cl)c2)[nH]c1=O
InChIInChI=1S/C14H16ClN3O2/c1-9(2)18-13(19)7-12(17-14(18)20)16-8-10-4-3-5-11(15)6-10/h3-7,9,16H,8H2,1-2H3,(H,17,20)
InChIKeyYMXWWWXYVJLGPZ-UHFFFAOYSA-N
XLogP2.38
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334475
6-(benzylamino)-3-tert-butyl-1H-pyrimidine-2,4-dione
CID 90489804
5-bromo-6-[(3-chlorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43230508
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
N-[(3-chlorophenyl)methyl]-2,4-di(propan-2-yl)aniline
CID 43693574
2-[(3-chlorophenyl)methylamino]-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23610648
5-fluoro-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334347
1-[3,5-bis[(3-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 7325537
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029512
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 146334434) is 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(NCc2cccc(Cl)c2)[nH]c1=O.
What is the InChIKey of 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is YMXWWWXYVJLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9(2)18-13(19)7-12(17-14(18)20)16-8-10-4-3-5-11(15)6-10/h3-7,9,16H,8H2,1-2H3,(H,17,20).
What are the key properties of 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 293.75 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146334434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).