N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C19H23N5O — CID 133416862

IUPACN-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NC(C)c2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C19H23N5O/c1-14-9-18(23-19(21-14)13-25-3)22-15(2)17-10-20-24(12-17)11-16-7-5-4-6-8-16/h4-10,12,15H,11,13H2,1-3H3,(H,21,22,23)
InChIKeyYCBOYKQYHXPPIL-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.35
Rot. Bonds7

About N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 133416862) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID133416862
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NC(C)c2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C19H23N5O/c1-14-9-18(23-19(21-14)13-25-3)22-15(2)17-10-20-24(12-17)11-16-7-5-4-6-8-16/h4-10,12,15H,11,13H2,1-3H3,(H,21,22,23)
InChIKeyYCBOYKQYHXPPIL-UHFFFAOYSA-N
XLogP3.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
CID 133416847
N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine
CID 136568277
(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 122049534
N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
CID 75451950
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
CID 133416856
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133475431
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71967479
N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine
CID 133416813
N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133350630
N-[1-(1-benzylpyrazol-4-yl)ethyl]-5-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
CID 166192226
1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 55108884

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 133416862) is N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(NC(C)c2cnn(Cc3ccccc3)c2)n1.
What is the InChIKey of N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is YCBOYKQYHXPPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-9-18(23-19(21-14)13-25-3)22-15(2)17-10-20-24(12-17)11-16-7-5-4-6-8-16/h4-10,12,15H,11,13H2,1-3H3,(H,21,22,23).
What are the key properties of N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133416862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).