5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C24H24N6O4 — CID 118580372

IUPAC5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H24N6O4/c1-14(27-23(32)21-20(25)22(31)29-24(33)28-21)16-8-9-19(34-2)18(10-16)17-11-26-30(13-17)12-15-6-4-3-5-7-15/h3-11,13-14H,12,25H2,1-2H3,(H,27,32)(H2,28,29,31,33)/t14-/m1/s1
InChIKeyADJXRTXWOXQIPX-CQSZACIVSA-N
MW460.49 g/mol
LogP2.06
Rot. Bonds7

About 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 118580372) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID118580372
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1-c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H24N6O4/c1-14(27-23(32)21-20(25)22(31)29-24(33)28-21)16-8-9-19(34-2)18(10-16)17-11-26-30(13-17)12-15-6-4-3-5-7-15/h3-11,13-14H,12,25H2,1-2H3,(H,27,32)(H2,28,29,31,33)/t14-/m1/s1
InChIKeyADJXRTXWOXQIPX-CQSZACIVSA-N
XLogP2.06
TPSA147.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 118580372) is 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is COc1ccc([C@@H](C)NC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1-c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is ADJXRTXWOXQIPX-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-14(27-23(32)21-20(25)22(31)29-24(33)28-21)16-8-9-19(34-2)18(10-16)17-11-26-30(13-17)12-15-6-4-3-5-7-15/h3-11,13-14H,12,25H2,1-2H3,(H,27,32)(H2,28,29,31,33)/t14-/m1/s1.
What are the key properties of 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 2.06, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R)-1-[3-(1-benzylpyrazol-4-yl)-4-methoxyphenyl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118580372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).