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

C12H15N5O2 — CID 155954914

IUPAC6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESCN(Cc1cc(=O)[nH]c(=O)[nH]1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H15N5O2/c1-17(6-8-4-11(18)14-12(19)13-8)10-5-9(15-16-10)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,15,16)(H2,13,14,18,19)
InChIKeyPOFJSLNBZPCLAH-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.30
Rot. Bonds4

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

6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 155954914) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione
PubChem CID155954914
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione
SMILESCN(Cc1cc(=O)[nH]c(=O)[nH]1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H15N5O2/c1-17(6-8-4-11(18)14-12(19)13-8)10-5-9(15-16-10)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,15,16)(H2,13,14,18,19)
InChIKeyPOFJSLNBZPCLAH-UHFFFAOYSA-N
XLogP0.30
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione (CID 155954914) is 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione is CN(Cc1cc(=O)[nH]c(=O)[nH]1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is POFJSLNBZPCLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-17(6-8-4-11(18)14-12(19)13-8)10-5-9(15-16-10)7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,15,16)(H2,13,14,18,19).
What are the key properties of 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione?
6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-cyclopropyl-1H-pyrazol-3-yl)-methylamino]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155954914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).