6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione

C11H15N5O2 — CID 138027438

IUPAC6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCc1n[nH]c(C)c1CNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C11H15N5O2/c1-6-8(7(2)15-14-6)5-12-9-4-10(17)16(3)11(18)13-9/h4,12H,5H2,1-3H3,(H,13,18)(H,14,15)
InChIKeyNYZKUNACEKTOAO-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.03
Rot. Bonds3

About 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione

6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 138027438) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID138027438
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCc1n[nH]c(C)c1CNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C11H15N5O2/c1-6-8(7(2)15-14-6)5-12-9-4-10(17)16(3)11(18)13-9/h4,12H,5H2,1-3H3,(H,13,18)(H,14,15)
InChIKeyNYZKUNACEKTOAO-UHFFFAOYSA-N
XLogP0.03
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione (CID 138027438) is 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione is Cc1n[nH]c(C)c1CNc1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is NYZKUNACEKTOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-8(7(2)15-14-6)5-12-9-4-10(17)16(3)11(18)13-9/h4,12H,5H2,1-3H3,(H,13,18)(H,14,15).
What are the key properties of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione?
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 138027438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).