N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine

C19H24N6 — CID 77091082

IUPACN-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
SMILESCN(CCc1cnn(C)c1)Cc1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C19H24N6/c1-24(9-8-17-13-23-25(2)15-17)14-18-11-21-19(22-12-18)20-10-16-6-4-3-5-7-16/h3-7,11-13,15H,8-10,14H2,1-2H3,(H,20,21,22)
InChIKeyOKZZWQIOOBFKBL-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.50
Rot. Bonds8

About N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine

N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine (PubChem CID 77091082) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
PubChem CID77091082
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine
SMILESCN(CCc1cnn(C)c1)Cc1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C19H24N6/c1-24(9-8-17-13-23-25(2)15-17)14-18-11-21-19(22-12-18)20-10-16-6-4-3-5-7-16/h3-7,11-13,15H,8-10,14H2,1-2H3,(H,20,21,22)
InChIKeyOKZZWQIOOBFKBL-UHFFFAOYSA-N
XLogP2.50
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734
6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 74243849
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N'-hydroxy-3-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzenecarboximidamide
CID 103002972
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
N-benzyl-5-[[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]pyrimidin-2-amine
CID 131932037
N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
CID 97230507
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
N-[(4-acetamidophenyl)methyl]-2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]acetamide
CID 135104283
N-ethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208787
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine (CID 77091082) is N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine is CN(CCc1cnn(C)c1)Cc1cnc(NCc2ccccc2)nc1.
What is the InChIKey of N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is OKZZWQIOOBFKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-24(9-8-17-13-23-25(2)15-17)14-18-11-21-19(22-12-18)20-10-16-6-4-3-5-7-16/h3-7,11-13,15H,8-10,14H2,1-2H3,(H,20,21,22).
What are the key properties of N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine?
N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 77091082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).