1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione

C10H12N4O2 — CID 63812539

IUPAC1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCn1cc(Cn2c(=O)ccn(C)c2=O)cn1
InChIInChI=1S/C10H12N4O2/c1-12-4-3-9(15)14(10(12)16)7-8-5-11-13(2)6-8/h3-6H,7H2,1-2H3
InChIKeySYEQHPKESZWCOG-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.67
Rot. Bonds2

About 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione

1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 63812539) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID63812539
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCn1cc(Cn2c(=O)ccn(C)c2=O)cn1
InChIInChI=1S/C10H12N4O2/c1-12-4-3-9(15)14(10(12)16)7-8-5-11-13(2)6-8/h3-6H,7H2,1-2H3
InChIKeySYEQHPKESZWCOG-UHFFFAOYSA-N
XLogP-0.67
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 104450389
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CID 105926673
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CID 105928758
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CID 112600017
CID 112600017
CID 50973274
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CID 117823356
CID 117823356

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione (CID 63812539) is 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione is Cn1cc(Cn2c(=O)ccn(C)c2=O)cn1.
What is the InChIKey of 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is SYEQHPKESZWCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-12-4-3-9(15)14(10(12)16)7-8-5-11-13(2)6-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione?
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of -0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 63812539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).