N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide

C14H20N6O3 — CID 24828321

IUPACN-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide
SMILESCCn1c(N)c(NC(=O)c2cn[nH]c2)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C14H20N6O3/c1-4-19-11(15)10(18-12(21)9-5-16-17-6-9)13(22)20(14(19)23)7-8(2)3/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)(H,18,21)
InChIKeyULGDKPIMSAVBSY-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.24
Rot. Bonds5

About N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide

N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide (PubChem CID 24828321) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide
PubChem CID24828321
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC NameN-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide
SMILESCCn1c(N)c(NC(=O)c2cn[nH]c2)c(=O)n(CC(C)C)c1=O
InChIInChI=1S/C14H20N6O3/c1-4-19-11(15)10(18-12(21)9-5-16-17-6-9)13(22)20(14(19)23)7-8(2)3/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)(H,18,21)
InChIKeyULGDKPIMSAVBSY-UHFFFAOYSA-N
XLogP0.24
TPSA127.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide (CID 24828321) is N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide is CCn1c(N)c(NC(=O)c2cn[nH]c2)c(=O)n(CC(C)C)c1=O.
What is the InChIKey of N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ULGDKPIMSAVBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-4-19-11(15)10(18-12(21)9-5-16-17-6-9)13(22)20(14(19)23)7-8(2)3/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)(H,18,21).
What are the key properties of N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide?
N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-ethyl-3-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24828321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).