4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C13H19N5O — CID 136976486

IUPAC4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCc2cnn(C)c2)cc(=O)[nH]1
InChIInChI=1S/C13H19N5O/c1-9(2)13-16-11(6-12(19)17-13)14-5-4-10-7-15-18(3)8-10/h6-9H,4-5H2,1-3H3,(H2,14,16,17,19)
InChIKeyMWTOZTCGOREHOC-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.28
Rot. Bonds5

About 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136976486) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136976486
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCc2cnn(C)c2)cc(=O)[nH]1
InChIInChI=1S/C13H19N5O/c1-9(2)13-16-11(6-12(19)17-13)14-5-4-10-7-15-18(3)8-10/h6-9H,4-5H2,1-3H3,(H2,14,16,17,19)
InChIKeyMWTOZTCGOREHOC-UHFFFAOYSA-N
XLogP1.28
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80688716
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136820290
4-[2-(2-methylpropoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016699
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550
2-cyclopropyl-4-[(1-methylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974708
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80853555
6-N-ethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80853557
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642
2-cyclopropyl-6-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80966249
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136976486) is 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCc2cnn(C)c2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MWTOZTCGOREHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)13-16-11(6-12(19)17-13)14-5-4-10-7-15-18(3)8-10/h6-9H,4-5H2,1-3H3,(H2,14,16,17,19).
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 261.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136976486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).