N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine

C17H23N7 — CID 46990065

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCCn1ncc(-c2ccnc(NCc3nccn3CC)n2)c1C
InChIInChI=1S/C17H23N7/c1-4-9-24-13(3)14(11-21-24)15-6-7-19-17(22-15)20-12-16-18-8-10-23(16)5-2/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,20,22)
InChIKeyBBIMHZJNGZVSEA-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.89
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine

N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46990065) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46990065
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCCn1ncc(-c2ccnc(NCc3nccn3CC)n2)c1C
InChIInChI=1S/C17H23N7/c1-4-9-24-13(3)14(11-21-24)15-6-7-19-17(22-15)20-12-16-18-8-10-23(16)5-2/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,20,22)
InChIKeyBBIMHZJNGZVSEA-UHFFFAOYSA-N
XLogP2.89
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Savolitinib
CID 68289010
Adipiplon
CID 11198924
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
7-(1-Benzyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 73777037
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
US10399985, Example 20
CID 118278203
N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}-3-(Pyridin-3-Yl)propan-1-Amine
CID 118656419
2-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}ethanamine
CID 118656528

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine (CID 46990065) is N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine is CCCn1ncc(-c2ccnc(NCc3nccn3CC)n2)c1C.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is BBIMHZJNGZVSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-4-9-24-13(3)14(11-21-24)15-6-7-19-17(22-15)20-12-16-18-8-10-23(16)5-2/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,19,20,22).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine?
N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-4-(5-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46990065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).