N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

C16H21N7 — CID 46991887

IUPACN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCn1ccnc1CNc1nccc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H21N7/c1-5-23-9-8-17-14(23)10-19-16-18-7-6-13(20-16)15-11(2)21-22(4)12(15)3/h6-9H,5,10H2,1-4H3,(H,18,19,20)
InChIKeySJYBPBSULCXLPC-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.32
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46991887) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46991887
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCn1ccnc1CNc1nccc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C16H21N7/c1-5-23-9-8-17-14(23)10-19-16-18-7-6-13(20-16)15-11(2)21-22(4)12(15)3/h6-9H,5,10H2,1-4H3,(H,18,19,20)
InChIKeySJYBPBSULCXLPC-UHFFFAOYSA-N
XLogP2.32
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46991887) is N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is CCn1ccnc1CNc1nccc(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is SJYBPBSULCXLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-5-23-9-8-17-14(23)10-19-16-18-7-6-13(20-16)15-11(2)21-22(4)12(15)3/h6-9H,5,10H2,1-4H3,(H,18,19,20).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 2.32, 5 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-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46991887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).