2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine

C21H26N6 — CID 155052483

IUPAC2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine
SMILESCC(C)c1cncc(CC(C)c2nccc(CC(C)c3ccncn3)n2)n1
InChIInChI=1S/C21H26N6/c1-14(2)20-12-23-11-18(26-20)10-16(4)21-24-8-5-17(27-21)9-15(3)19-6-7-22-13-25-19/h5-8,11-16H,9-10H2,1-4H3
InChIKeyBEHAIWZQPANRAK-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.87
Rot. Bonds7

About 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine

2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine (PubChem CID 155052483) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine.

Molecular Properties

Compound Name2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine
PubChem CID155052483
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine
SMILESCC(C)c1cncc(CC(C)c2nccc(CC(C)c3ccncn3)n2)n1
InChIInChI=1S/C21H26N6/c1-14(2)20-12-23-11-18(26-20)10-16(4)21-24-8-5-17(27-21)9-15(3)19-6-7-22-13-25-19/h5-8,11-16H,9-10H2,1-4H3
InChIKeyBEHAIWZQPANRAK-UHFFFAOYSA-N
XLogP3.87
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(6-methylpyrazin-2-yl)propyl]-6-[4-(4-propan-2-ylpyrimidin-2-yl)oxybutan-2-yl]pyrazine
CID 170025678
2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine
CID 155076697
2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid
CID 134302095
ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 160766869
3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 161232846
1-(2-butan-2-ylpyrimidin-4-yl)butan-2-amine
CID 63717252
3-pyrimidin-4-ylbutanoic acid
CID 82597054
2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine
CID 161386893
2-[1-[2,6-di(propan-2-yl)-4-pyridinyl]propan-2-yl]-6-propan-2-ylpyrazine
CID 138605605
2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 158889204
3-[4-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116899960
4-propan-2-yl-2-(2-pyrimidin-5-ylpropyl)pyrimidine
CID 146214625

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine?
The IUPAC name of 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine (CID 155052483) is 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine.
What is the SMILES notation for 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine?
The canonical SMILES for 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine is CC(C)c1cncc(CC(C)c2nccc(CC(C)c3ccncn3)n2)n1.
What is the InChIKey of 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine?
The InChIKey is BEHAIWZQPANRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-14(2)20-12-23-11-18(26-20)10-16(4)21-24-8-5-17(27-21)9-15(3)19-6-7-22-13-25-19/h5-8,11-16H,9-10H2,1-4H3.
What are the key properties of 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine?
2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine has a molecular weight of 362.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine is sourced from PubChem (CID 155052483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).