6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione

C15H23ClN6O2 — CID 78833876

IUPAC6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)Cc2c(C)nn(C)c2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C15H23ClN6O2/c1-5-6-7-22-13(17)11(14(23)18-15(22)24)20(3)8-10-9(2)19-21(4)12(10)16/h5-8,17H2,1-4H3,(H,18,23,24)
InChIKeyASXXPXVQQFTFNC-UHFFFAOYSA-N
MW354.84 g/mol
LogP1.25
Rot. Bonds6

About 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione (PubChem CID 78833876) has the molecular formula C15H23ClN6O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
PubChem CID78833876
Molecular FormulaC15H23ClN6O2
Molecular Weight354.84 g/mol
Exact Mass354.16
IUPAC Name6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)Cc2c(C)nn(C)c2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C15H23ClN6O2/c1-5-6-7-22-13(17)11(14(23)18-15(22)24)20(3)8-10-9(2)19-21(4)12(10)16/h5-8,17H2,1-4H3,(H,18,23,24)
InChIKeyASXXPXVQQFTFNC-UHFFFAOYSA-N
XLogP1.25
TPSA101.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-butyl-5-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834956
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
6-amino-1-butyl-5-[3-hydroxypropyl(methyl)amino]pyrimidine-2,4-dione
CID 47150405
ethyl 3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1-benzofuran-2-carboxylate
CID 55474866
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylacetamide
CID 55754402
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
6-amino-5-[(6-bromo-1,3-benzodioxol-5-yl)methyl-methylamino]-1-butylpyrimidine-2,4-dione
CID 112807483
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 112807489
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 9167061
N-butyl-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 60795956
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 29309904

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione (CID 78833876) is 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(C)Cc2c(C)nn(C)c2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione?
The InChIKey is ASXXPXVQQFTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN6O2/c1-5-6-7-22-13(17)11(14(23)18-15(22)24)20(3)8-10-9(2)19-21(4)12(10)16/h5-8,17H2,1-4H3,(H,18,23,24).
What are the key properties of 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione has a molecular weight of 354.84 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 78833876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).