2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one

C12H12Cl2N4O — CID 135453972

IUPAC2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one
SMILESCC(c1ccc(Cl)cc1Cl)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C12H12Cl2N4O/c1-5(7-3-2-6(13)4-8(7)14)9-10(15)17-12(16)18-11(9)19/h2-5H,1H3,(H5,15,16,17,18,19)
InChIKeyFWIMVTHOLIZDPO-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.39
Rot. Bonds2

About 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one

2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one (PubChem CID 135453972) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one
PubChem CID135453972
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one
SMILESCC(c1ccc(Cl)cc1Cl)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C12H12Cl2N4O/c1-5(7-3-2-6(13)4-8(7)14)9-10(15)17-12(16)18-11(9)19/h2-5H,1H3,(H5,15,16,17,18,19)
InChIKeyFWIMVTHOLIZDPO-UHFFFAOYSA-N
XLogP2.39
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diamino-5-[1-(4-chlorophenyl)-2-nitroethyl]-1H-pyrimidin-6-one
CID 135489101
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 70116015
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
2-N-[1-(2,4-dichlorophenyl)ethyl]pyrazine-2,6-diamine
CID 80646859
5-chloro-4-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 164838647
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 37494055
1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969505
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one (CID 135453972) is 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one is CC(c1ccc(Cl)cc1Cl)c1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is FWIMVTHOLIZDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-5(7-3-2-6(13)4-8(7)14)9-10(15)17-12(16)18-11(9)19/h2-5H,1H3,(H5,15,16,17,18,19).
What are the key properties of 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 299.16 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135453972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).