6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine

C17H20N6 — CID 56712468

IUPAC6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
SMILESCN(Cc1cccc(-n2cccn2)c1)c1cc(CCN)ncn1
InChIInChI=1S/C17H20N6/c1-22(17-11-15(6-7-18)19-13-20-17)12-14-4-2-5-16(10-14)23-9-3-8-21-23/h2-5,8-11,13H,6-7,12,18H2,1H3
InChIKeyWXSQHHQOYCVMSH-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.80
Rot. Bonds6

About 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine

6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine (PubChem CID 56712468) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
PubChem CID56712468
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
SMILESCN(Cc1cccc(-n2cccn2)c1)c1cc(CCN)ncn1
InChIInChI=1S/C17H20N6/c1-22(17-11-15(6-7-18)19-13-20-17)12-14-4-2-5-16(10-14)23-9-3-8-21-23/h2-5,8-11,13H,6-7,12,18H2,1H3
InChIKeyWXSQHHQOYCVMSH-UHFFFAOYSA-N
XLogP1.80
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
3-chloro-6-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 72863298
6-(2-cyclohexylethyl)-5-fluoro-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine
CID 159657128
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-6-methylsulfanylpyrimidin-4-amine
CID 106972381
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(3-pyrazol-1-ylphenyl)methanamine
CID 77094848
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
(4R)-N,3-dimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 70750518
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazin-2-amine
CID 70756938
4-(4-fluorophenyl)-N-methyl-4-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]butanamide
CID 70738182
(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 97273821
2-methoxy-N-[(4-methylphenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]ethanamine
CID 46995980

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine (CID 56712468) is 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine is CN(Cc1cccc(-n2cccn2)c1)c1cc(CCN)ncn1.
What is the InChIKey of 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is WXSQHHQOYCVMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-22(17-11-15(6-7-18)19-13-20-17)12-14-4-2-5-16(10-14)23-9-3-8-21-23/h2-5,8-11,13H,6-7,12,18H2,1H3.
What are the key properties of 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine?
6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 56712468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).