4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine

C38H64N6 — CID 158767340

IUPAC4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine
SMILESCC(C)CCc1cc(CCC(C)C)ncn1.CC(C)Cc1cc(CC(C)C)ncn1.CC(C)Cc1ccnc(CC(C)C)n1
InChIInChI=1S/C14H24N2.2C12H20N2/c1-11(2)5-7-13-9-14(16-10-15-13)8-6-12(3)4;1-9(2)5-11-7-12(6-10(3)4)14-8-13-11;1-9(2)7-11-5-6-13-12(14-11)8-10(3)4/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3
InChIKeyIPKRFZBZFOGHOZ-UHFFFAOYSA-N
MW604.97 g/mol
LogP9.40
Rot. Bonds14

About 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine

4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine (PubChem CID 158767340) has the molecular formula C38H64N6 and a molecular weight of 604.97 g/mol. Its IUPAC name is 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine
PubChem CID158767340
Molecular FormulaC38H64N6
Molecular Weight604.97 g/mol
Exact Mass604.52
IUPAC Name4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine
SMILESCC(C)CCc1cc(CCC(C)C)ncn1.CC(C)Cc1cc(CC(C)C)ncn1.CC(C)Cc1ccnc(CC(C)C)n1
InChIInChI=1S/C14H24N2.2C12H20N2/c1-11(2)5-7-13-9-14(16-10-15-13)8-6-12(3)4;1-9(2)5-11-7-12(6-10(3)4)14-8-13-11;1-9(2)7-11-5-6-13-12(14-11)8-10(3)4/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3
InChIKeyIPKRFZBZFOGHOZ-UHFFFAOYSA-N
XLogP9.40
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.97
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine with MolForge

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Related Compounds

1-[2-(2-methylpropyl)pyrimidin-4-yl]butan-2-amine
CID 62744170
1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
CID 62745394
[2-(2-methylpropyl)pyrimidin-4-yl]methanol
CID 62747781
2-methyl-3-[4-(2-methylpropyl)pyrimidin-2-yl]propan-1-amine
CID 116898246
2-methyl-N-[[2-(2-methylpropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62747761
2-methyl-4-(3-methylbutyl)pyrimidine
CID 143330492
2-(3-methylbutyl)-4-propan-2-ylpyridine
CID 59202153
2-methyl-N-[[2-(3-methylbutyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 55114345
1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
CID 62745395
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
4-cyclopropyl-2-(2-methylpropyl)pyrimidine
CID 70659268
N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 89368528

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine?
The IUPAC name of 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine (CID 158767340) is 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine?
The canonical SMILES for 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine is CC(C)CCc1cc(CCC(C)C)ncn1.CC(C)Cc1cc(CC(C)C)ncn1.CC(C)Cc1ccnc(CC(C)C)n1.
What is the InChIKey of 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine?
The InChIKey is IPKRFZBZFOGHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.2C12H20N2/c1-11(2)5-7-13-9-14(16-10-15-13)8-6-12(3)4;1-9(2)5-11-7-12(6-10(3)4)14-8-13-11;1-9(2)7-11-5-6-13-12(14-11)8-10(3)4/h9-12H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine?
4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine has a molecular weight of 604.97 g/mol, XLogP of 9.40, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-methylbutyl)pyrimidine;2,4-bis(2-methylpropyl)pyrimidine;4,6-bis(2-methylpropyl)pyrimidine is sourced from PubChem (CID 158767340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).