N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine

C20H21N7 — CID 46999161

IUPACN-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCCn1cncc1CNc1nccc(-c2cnn(-c3ccccc3C)c2)n1
InChIInChI=1S/C20H21N7/c1-3-26-14-21-11-17(26)12-23-20-22-9-8-18(25-20)16-10-24-27(13-16)19-7-5-4-6-15(19)2/h4-11,13-14H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyBETNIXNSXGPYAE-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.47
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine

N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 46999161) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID46999161
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCCn1cncc1CNc1nccc(-c2cnn(-c3ccccc3C)c2)n1
InChIInChI=1S/C20H21N7/c1-3-26-14-21-11-17(26)12-23-20-22-9-8-18(25-20)16-10-24-27(13-16)19-7-5-4-6-15(19)2/h4-11,13-14H,3,12H2,1-2H3,(H,22,23,25)
InChIKeyBETNIXNSXGPYAE-UHFFFAOYSA-N
XLogP3.47
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine (CID 46999161) is N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine is CCn1cncc1CNc1nccc(-c2cnn(-c3ccccc3C)c2)n1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is BETNIXNSXGPYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-3-26-14-21-11-17(26)12-23-20-22-9-8-18(25-20)16-10-24-27(13-16)19-7-5-4-6-15(19)2/h4-11,13-14H,3,12H2,1-2H3,(H,22,23,25).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine?
N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 359.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 46999161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).