3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine

C31H49N5 — CID 161232846

IUPAC3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(C(C)C)ncn1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cncc(C(C)C)c1
InChIInChI=1S/C11H17N.2C10H16N2/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4/h5-9H,1-4H3;2*5-8H,1-4H3
InChIKeyUYZGZIDMGPKOKC-UHFFFAOYSA-N
MW491.77 g/mol
LogP8.78
Rot. Bonds6

About 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine

3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine (PubChem CID 161232846) has the molecular formula C31H49N5 and a molecular weight of 491.77 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
PubChem CID161232846
Molecular FormulaC31H49N5
Molecular Weight491.77 g/mol
Exact Mass491.40
IUPAC Name3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(C(C)C)ncn1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cncc(C(C)C)c1
InChIInChI=1S/C11H17N.2C10H16N2/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4/h5-9H,1-4H3;2*5-8H,1-4H3
InChIKeyUYZGZIDMGPKOKC-UHFFFAOYSA-N
XLogP8.78
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.77
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 158889204
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
CID 159524432
2-propan-2-yl-4-[5-(5-propan-2-yl-3-pyridinyl)hexan-2-yl]pyridine
CID 155097626
bis(2,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;bis(4-[4,6-di(propan-2-yl)-2-pyridinyl]morpholine);4,6-di(propan-2-yl)pyrimidine;4-[4,6-di(propan-2-yl)pyrimidin-2-yl]morpholine
CID 159075134
ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 160766869
4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
CID 130227799
2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile
CID 83857554
4-propan-2-yl-2-(2-pyrimidin-5-ylpropyl)pyrimidine
CID 146214625
2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 83857547
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine
CID 158122570

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine (CID 161232846) is 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine is CC(C)c1cc(C(C)C)ncn1.CC(C)c1ccnc(C(C)C)n1.CC(C)c1cncc(C(C)C)c1.
What is the InChIKey of 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine?
The InChIKey is UYZGZIDMGPKOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.2C10H16N2/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4/h5-9H,1-4H3;2*5-8H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine?
3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine has a molecular weight of 491.77 g/mol, XLogP of 8.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 161232846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).