6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine

C17H16N8 — CID 167818898

IUPAC6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine
SMILESCn1cc(C(Nc2cc(-n3ccnc3)ncn2)c2cccnc2)cn1
InChIInChI=1S/C17H16N8/c1-24-10-14(9-22-24)17(13-3-2-4-18-8-13)23-15-7-16(21-11-20-15)25-6-5-19-12-25/h2-12,17H,1H3,(H,20,21,23)
InChIKeyNUDOYPGRACPIFI-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.99
Rot. Bonds5

About 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine

6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine (PubChem CID 167818898) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine
PubChem CID167818898
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine
SMILESCn1cc(C(Nc2cc(-n3ccnc3)ncn2)c2cccnc2)cn1
InChIInChI=1S/C17H16N8/c1-24-10-14(9-22-24)17(13-3-2-4-18-8-13)23-15-7-16(21-11-20-15)25-6-5-19-12-25/h2-12,17H,1H3,(H,20,21,23)
InChIKeyNUDOYPGRACPIFI-UHFFFAOYSA-N
XLogP1.99
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine (CID 167818898) is 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine is Cn1cc(C(Nc2cc(-n3ccnc3)ncn2)c2cccnc2)cn1.
What is the InChIKey of 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine?
The InChIKey is NUDOYPGRACPIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-24-10-14(9-22-24)17(13-3-2-4-18-8-13)23-15-7-16(21-11-20-15)25-6-5-19-12-25/h2-12,17H,1H3,(H,20,21,23).
What are the key properties of 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine?
6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 167818898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).