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

C12H17N5O2 — CID 64800150

IUPAC5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCCC(C)n1ccc(Cn2cc(N)c(=O)[nH]c2=O)n1
InChIInChI=1S/C12H17N5O2/c1-3-8(2)17-5-4-9(15-17)6-16-7-10(13)11(18)14-12(16)19/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,18,19)
InChIKeyLVOJRKWVLCXCKT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.33
Rot. Bonds4

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

5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 64800150) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID64800150
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCCC(C)n1ccc(Cn2cc(N)c(=O)[nH]c2=O)n1
InChIInChI=1S/C12H17N5O2/c1-3-8(2)17-5-4-9(15-17)6-16-7-10(13)11(18)14-12(16)19/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,18,19)
InChIKeyLVOJRKWVLCXCKT-UHFFFAOYSA-N
XLogP0.33
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 79356074
2,4-dioxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidine-5-sulfonamide
CID 81336433
5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64799958
methyl 4-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 64799579
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanone
CID 79107545
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79785291
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-iodopyrimidin-4-one
CID 66308642
1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrole-3-carbaldehyde
CID 66407696
1-[(2S)-butan-2-yl]pyrazol-3-amine
CID 28841775
5-amino-1-(2-hydroxypropyl)pyrimidine-2,4-dione
CID 65277616
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483803

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (CID 64800150) is 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is CCC(C)n1ccc(Cn2cc(N)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is LVOJRKWVLCXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-8(2)17-5-4-9(15-17)6-16-7-10(13)11(18)14-12(16)19/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,18,19).
What are the key properties of 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 64800150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).