N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide

C17H26N6O3 — CID 55875564

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CCc2cnn(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C17H26N6O3/c1-4-6-9-23-15(18)14(16(25)20-17(23)26)22(5-2)13(24)8-7-12-10-19-21(3)11-12/h10-11H,4-9,18H2,1-3H3,(H,20,25,26)
InChIKeyXZLDCUVKGXXFMW-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.64
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 55875564) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID55875564
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CCc2cnn(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C17H26N6O3/c1-4-6-9-23-15(18)14(16(25)20-17(23)26)22(5-2)13(24)8-7-12-10-19-21(3)11-12/h10-11H,4-9,18H2,1-3H3,(H,20,25,26)
InChIKeyXZLDCUVKGXXFMW-UHFFFAOYSA-N
XLogP0.64
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 55882526
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55875310
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 9200802
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-benzylpiperazin-1-yl)-N-ethylacetamide
CID 43012919
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(1,3-benzothiazol-2-yl)-N-ethylbutanamide
CID 29310138
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(2-methylphenyl)sulfanylacetamide
CID 29310183
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 30725123
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(4-bromophenyl)carbamoylamino]-N-ethylpropanamide
CID 55770412
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-fluoro-N-methylanilino)acetamide
CID 55839982

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide (CID 55875564) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide is CCCCn1c(N)c(N(CC)C(=O)CCc2cnn(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is XZLDCUVKGXXFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-4-6-9-23-15(18)14(16(25)20-17(23)26)22(5-2)13(24)8-7-12-10-19-21(3)11-12/h10-11H,4-9,18H2,1-3H3,(H,20,25,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 362.43 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55875564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).