2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine

C18H20N4 — CID 158374042

IUPAC2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
SMILESCC(C)C.c1cnc(-c2cccc(-c3ncccn3)c2)nc1
InChIInChI=1S/C14H10N4.C4H10/c1-4-11(13-15-6-2-7-16-13)10-12(5-1)14-17-8-3-9-18-14;1-4(2)3/h1-10H;4H,1-3H3
InChIKeyGUYZUGPGDGKDDF-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.26
Rot. Bonds2

About 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine

2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine (PubChem CID 158374042) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
PubChem CID158374042
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
SMILESCC(C)C.c1cnc(-c2cccc(-c3ncccn3)c2)nc1
InChIInChI=1S/C14H10N4.C4H10/c1-4-11(13-15-6-2-7-16-13)10-12(5-1)14-17-8-3-9-18-14;1-4(2)3/h1-10H;4H,1-3H3
InChIKeyGUYZUGPGDGKDDF-UHFFFAOYSA-N
XLogP4.26
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
CID 59133455
2-(3-bromophenyl)pyrimidine
CID 26967381
2,4-diphenyl-6-[3-(4-pyrimidin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 130184133
2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 158485358
2-phenylpyrimidine
CID 593578
3-pyrimidin-2-ylbenzaldehyde
CID 22630818
2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
CID 59552735
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
2-[3-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]pyrimidine
CID 129292675
2-phenyl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 137433530
2-(3-pyrimidin-2-ylphenyl)ethanol
CID 142687410
N-phenyl-3-pyrimidin-2-yl-N-(3-pyrimidin-2-ylphenyl)aniline
CID 157447989

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine?
The IUPAC name of 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine (CID 158374042) is 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine is CC(C)C.c1cnc(-c2cccc(-c3ncccn3)c2)nc1.
What is the InChIKey of 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine?
The InChIKey is GUYZUGPGDGKDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4.C4H10/c1-4-11(13-15-6-2-7-16-13)10-12(5-1)14-17-8-3-9-18-14;1-4(2)3/h1-10H;4H,1-3H3.
What are the key properties of 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine?
2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine has a molecular weight of 292.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 158374042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).