5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione

C13H17N5O2 — CID 64799958

IUPAC5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESNc1cn(Cc2ccn(C3CCCC3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N5O2/c14-11-8-17(13(20)15-12(11)19)7-9-5-6-18(16-9)10-3-1-2-4-10/h5-6,8,10H,1-4,7,14H2,(H,15,19,20)
InChIKeyCZROXFYDDAVEKU-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.48
Rot. Bonds3

About 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione

5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 64799958) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID64799958
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESNc1cn(Cc2ccn(C3CCCC3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N5O2/c14-11-8-17(13(20)15-12(11)19)7-9-5-6-18(16-9)10-3-1-2-4-10/h5-6,8,10H,1-4,7,14H2,(H,15,19,20)
InChIKeyCZROXFYDDAVEKU-UHFFFAOYSA-N
XLogP0.48
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 103962037
5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64800150
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412
1-cyclohexyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776964
5-bromo-6-chloro-3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 114583419
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (CID 64799958) is 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is Nc1cn(Cc2ccn(C3CCCC3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is CZROXFYDDAVEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-11-8-17(13(20)15-12(11)19)7-9-5-6-18(16-9)10-3-1-2-4-10/h5-6,8,10H,1-4,7,14H2,(H,15,19,20).
What are the key properties of 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 64799958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).