N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine

C19H23N5O — CID 136568277

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine
SMILESCCOCc1nc(C)cc(NCc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C19H23N5O/c1-3-25-14-19-22-15(2)9-18(23-19)20-10-17-11-21-24(13-17)12-16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22,23)
InChIKeyMMBCBGDOAQNYHX-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.18
Rot. Bonds8

About N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine

N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 136568277) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID136568277
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine
SMILESCCOCc1nc(C)cc(NCc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C19H23N5O/c1-3-25-14-19-22-15(2)9-18(23-19)20-10-17-11-21-24(13-17)12-16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22,23)
InChIKeyMMBCBGDOAQNYHX-UHFFFAOYSA-N
XLogP3.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133416862
6-methyl-2-(phenylmethoxymethyl)-N-propylpyrimidin-4-amine
CID 80654123
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[(1-benzylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 78879011
N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
CID 75451950
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
ethyl 2-[(1-benzylpyrazol-4-yl)methylamino]propanoate
CID 61498436
1-[(1-benzylpyrazol-4-yl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111895497
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloroaniline
CID 43503102
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777110

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine (CID 136568277) is N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine is CCOCc1nc(C)cc(NCc2cnn(Cc3ccccc3)c2)n1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is MMBCBGDOAQNYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-25-14-19-22-15(2)9-18(23-19)20-10-17-11-21-24(13-17)12-16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22,23).
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine?
N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 136568277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).