4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one

C13H19N5O — CID 154773020

IUPAC4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N(C)Cc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H19N5O/c1-8-6-12(19)15-13(14-8)17(4)7-11-9(2)16-18(5)10(11)3/h6H,7H2,1-5H3,(H,14,15,19)
InChIKeyXBMYLACYJNCQMU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.07
Rot. Bonds3

About 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one

4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one (PubChem CID 154773020) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
PubChem CID154773020
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N(C)Cc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H19N5O/c1-8-6-12(19)15-13(14-8)17(4)7-11-9(2)16-18(5)10(11)3/h6H,7H2,1-5H3,(H,14,15,19)
InChIKeyXBMYLACYJNCQMU-UHFFFAOYSA-N
XLogP1.07
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophen-3-amine
CID 167861737
4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135592196
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
6-methyl-3-[2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione
CID 91835895
N,2,6-trimethyl-3-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-2-carboxamide
CID 75796143
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503
2-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 118764878
3-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-imidazol-2-one
CID 103125761
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 46972220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one (CID 154773020) is 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N(C)Cc2c(C)nn(C)c2C)n1.
What is the InChIKey of 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one?
The InChIKey is XBMYLACYJNCQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-6-12(19)15-13(14-8)17(4)7-11-9(2)16-18(5)10(11)3/h6H,7H2,1-5H3,(H,14,15,19).
What are the key properties of 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one?
4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one has a molecular weight of 261.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 154773020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).