1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione

C19H27ClN4O2 — CID 51039752

IUPAC1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione
SMILESCCN(CC)CC(Cn1cc(C)c(=O)[nH]c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN4O2/c1-4-23(5-2)12-17(21-10-15-6-8-16(20)9-7-15)13-24-11-14(3)18(25)22-19(24)26/h6-9,11,17,21H,4-5,10,12-13H2,1-3H3,(H,22,25,26)
InChIKeyZFNJXSPWHMQRNC-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.00
Rot. Bonds9

About 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione

1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione (PubChem CID 51039752) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione
PubChem CID51039752
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione
SMILESCCN(CC)CC(Cn1cc(C)c(=O)[nH]c1=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H27ClN4O2/c1-4-23(5-2)12-17(21-10-15-6-8-16(20)9-7-15)13-24-11-14(3)18(25)22-19(24)26/h6-9,11,17,21H,4-5,10,12-13H2,1-3H3,(H,22,25,26)
InChIKeyZFNJXSPWHMQRNC-UHFFFAOYSA-N
XLogP2.00
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione (CID 51039752) is 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione is CCN(CC)CC(Cn1cc(C)c(=O)[nH]c1=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is ZFNJXSPWHMQRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-4-23(5-2)12-17(21-10-15-6-8-16(20)9-7-15)13-24-11-14(3)18(25)22-19(24)26/h6-9,11,17,21H,4-5,10,12-13H2,1-3H3,(H,22,25,26).
What are the key properties of 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione?
1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 378.90 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylamino]-3-(diethylamino)propyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 51039752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).