1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

C12H16N6O — CID 71984790

IUPAC1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCCN(CC)C(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C12H16N6O/c1-3-17(4-2)12(19)16-10-8-15-18(9-10)11-13-6-5-7-14-11/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeyFBCPCJQYZJQRMW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.54
Rot. Bonds4

About 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (PubChem CID 71984790) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
PubChem CID71984790
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCCN(CC)C(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C12H16N6O/c1-3-17(4-2)12(19)16-10-8-15-18(9-10)11-13-6-5-7-14-11/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeyFBCPCJQYZJQRMW-UHFFFAOYSA-N
XLogP1.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 71984797
1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899569
5-chloro-2-(ethylamino)-N-(1-pyrimidin-2-ylpyrazol-4-yl)benzamide
CID 99795820
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95776857
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852836
1-(2-methylphenyl)-N-(1-pyrimidin-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 126810443
1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 166196323
N-(1-pyrimidin-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119328811
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951
N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
CID 167766154
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899561

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (CID 71984790) is 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is CCN(CC)C(=O)Nc1cnn(-c2ncccn2)c1.
What is the InChIKey of 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The InChIKey is FBCPCJQYZJQRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-17(4-2)12(19)16-10-8-15-18(9-10)11-13-6-5-7-14-11/h5-9H,3-4H2,1-2H3,(H,16,19).
What are the key properties of 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea has a molecular weight of 260.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 71984790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).