6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione

C12H17N5O2 — CID 114537437

IUPAC6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione
SMILESCc1cc(C)n(CCCn2c(N)cc(=O)[nH]c2=O)n1
InChIInChI=1S/C12H17N5O2/c1-8-6-9(2)17(15-8)5-3-4-16-10(13)7-11(18)14-12(16)19/h6-7H,3-5,13H2,1-2H3,(H,14,18,19)
InChIKeyGNUSFSUPUQQBHB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.02
Rot. Bonds4

About 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione

6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione (PubChem CID 114537437) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione
PubChem CID114537437
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione
SMILESCc1cc(C)n(CCCn2c(N)cc(=O)[nH]c2=O)n1
InChIInChI=1S/C12H17N5O2/c1-8-6-9(2)17(15-8)5-3-4-16-10(13)7-11(18)14-12(16)19/h6-7H,3-5,13H2,1-2H3,(H,14,18,19)
InChIKeyGNUSFSUPUQQBHB-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1-tetradecylpyrimidine-2,4-dione
CID 22924826
6-amino-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 63964773
6-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-methoxy-1H-quinazoline-2,4-dione
CID 167868461
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1H-imidazole-2-thione
CID 114538956
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 114538137
6-amino-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106402494
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-1H-benzimidazole-2-thione
CID 114537977
1-(6-chlorohexyl)-3,5-dimethylpyrazole
CID 62227990
3,5-dimethyl-1-(2-methylsulfonylethyl)pyrazole
CID 63810790
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 114537953
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 30659791
3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazole
CID 115518541

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione (CID 114537437) is 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione is Cc1cc(C)n(CCCn2c(N)cc(=O)[nH]c2=O)n1.
What is the InChIKey of 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione?
The InChIKey is GNUSFSUPUQQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-6-9(2)17(15-8)5-3-4-16-10(13)7-11(18)14-12(16)19/h6-7H,3-5,13H2,1-2H3,(H,14,18,19).
What are the key properties of 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione?
6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 114537437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).