1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

C18H21N5 — CID 77098082

IUPAC1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCc1ncc(CN(C)Cc2cn[nH]c2-c2ccccc2)cn1
InChIInChI=1S/C18H21N5/c1-3-17-19-9-14(10-20-17)12-23(2)13-16-11-21-22-18(16)15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyNBRIABYRNYNBJN-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 77098082) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID77098082
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCc1ncc(CN(C)Cc2cn[nH]c2-c2ccccc2)cn1
InChIInChI=1S/C18H21N5/c1-3-17-19-9-14(10-20-17)12-23(2)13-16-11-21-22-18(16)15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyNBRIABYRNYNBJN-UHFFFAOYSA-N
XLogP3.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Forasartan
CID 132706
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
3MB-PP1
CID 24865390
5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 6539528
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
N-{4-[(diethylamino)methyl]phenyl}-4-{pyrazolo[1,5-b]pyridazin-3-yl}pyrimidin-2-amine
CID 10215776
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 14638904
Pyrazole 79
CID 23647348
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949399

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (CID 77098082) is 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is CCc1ncc(CN(C)Cc2cn[nH]c2-c2ccccc2)cn1.
What is the InChIKey of 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is NBRIABYRNYNBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-3-17-19-9-14(10-20-17)12-23(2)13-16-11-21-22-18(16)15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 77098082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).