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

C20H32N4 — CID 158889204

IUPAC2,4-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
InChIInChI=1S/2C10H16N2/c1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4/h2*5-8H,1-4H3
InChIKeyJDZYETHSKSWVTF-UHFFFAOYSA-N
MW328.50 g/mol
LogP5.45
Rot. Bonds4

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

2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine (PubChem CID 158889204) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
PubChem CID158889204
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name2,4-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
InChIInChI=1S/2C10H16N2/c1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4/h2*5-8H,1-4H3
InChIKeyJDZYETHSKSWVTF-UHFFFAOYSA-N
XLogP5.45
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 161232846
2-(2-propan-2-ylpyrimidin-4-yl)propanenitrile
CID 83857554
2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 83857547
4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
CID 130227799
CID 174069599
CID 174069599
N,N-dimethyl-4-propan-2-ylpyrimidin-2-amine
CID 10820941
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318928
2-(oxetan-3-yl)-4-propan-2-ylpyrimidine
CID 167163743
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
4-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-ol
CID 63200751
4-isocyano-2-propan-2-ylpyrimidine
CID 84649154
2,7-di(propan-2-yl)pyrido[4,3-d]pyrimidine
CID 171735434

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine (CID 158889204) is 2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 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.
What is the InChIKey of 2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine?
The InChIKey is JDZYETHSKSWVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2/c1-7(2)9-5-10(8(3)4)12-6-11-9;1-7(2)9-5-6-11-10(12-9)8(3)4/h2*5-8H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine?
2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine has a molecular weight of 328.50 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 158889204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).