4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine

C16H16N6 — CID 129253024

IUPAC4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine
SMILESCc1cnc(Cc2ccnc(Cc3ncccn3)n2)nc1C
InChIInChI=1S/C16H16N6/c1-11-10-20-15(21-12(11)2)8-13-4-7-19-16(22-13)9-14-17-5-3-6-18-14/h3-7,10H,8-9H2,1-2H3
InChIKeySJDBZHMOASOSRE-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.86
Rot. Bonds4

About 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine

4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine (PubChem CID 129253024) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine
PubChem CID129253024
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine
SMILESCc1cnc(Cc2ccnc(Cc3ncccn3)n2)nc1C
InChIInChI=1S/C16H16N6/c1-11-10-20-15(21-12(11)2)8-13-4-7-19-16(22-13)9-14-17-5-3-6-18-14/h3-7,10H,8-9H2,1-2H3
InChIKeySJDBZHMOASOSRE-UHFFFAOYSA-N
XLogP1.86
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine?
The IUPAC name of 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine (CID 129253024) is 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine is Cc1cnc(Cc2ccnc(Cc3ncccn3)n2)nc1C.
What is the InChIKey of 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine?
The InChIKey is SJDBZHMOASOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c1-11-10-20-15(21-12(11)2)8-13-4-7-19-16(22-13)9-14-17-5-3-6-18-14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine?
4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine has a molecular weight of 292.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[2-(pyrimidin-2-ylmethyl)pyrimidin-4-yl]methyl]pyrimidine is sourced from PubChem (CID 129253024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).