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

C18H27FN6O3 — CID 166335909

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCC(C)CN(C(=O)c1ccn(CCF)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H27FN6O3/c1-11(2)9-24(17(27)13-5-7-23(22-13)8-6-19)14-15(20)25(10-12(3)4)18(28)21-16(14)26/h5,7,11-12H,6,8-10,20H2,1-4H3,(H,21,26,28)
InChIKeyAHWUQIKSLJBWRT-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.24
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 166335909) has the molecular formula C18H27FN6O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID166335909
Molecular FormulaC18H27FN6O3
Molecular Weight394.45 g/mol
Exact Mass394.21
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCC(C)CN(C(=O)c1ccn(CCF)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H27FN6O3/c1-11(2)9-24(17(27)13-5-7-23(22-13)8-6-19)14-15(20)25(10-12(3)4)18(28)21-16(14)26/h5,7,11-12H,6,8-10,20H2,1-4H3,(H,21,26,28)
InChIKeyAHWUQIKSLJBWRT-UHFFFAOYSA-N
XLogP1.24
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 166335909) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide is CC(C)CN(C(=O)c1ccn(CCF)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is AHWUQIKSLJBWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN6O3/c1-11(2)9-24(17(27)13-5-7-23(22-13)8-6-19)14-15(20)25(10-12(3)4)18(28)21-16(14)26/h5,7,11-12H,6,8-10,20H2,1-4H3,(H,21,26,28).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 1.24, 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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluoroethyl)-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166335909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).