4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine

C18H33N3 — CID 25128810

IUPAC4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CCc1cc(CCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C18H33N3/c1-13(2)7-9-16-11-17(10-8-14(3)4)21-18(20-16)19-12-15(5)6/h11,13-15H,7-10,12H2,1-6H3,(H,19,20,21)
InChIKeySWJREXKOMWYNRA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.72
Rot. Bonds9

About 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine

4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 25128810) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID25128810
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CCc1cc(CCC(C)C)nc(NCC(C)C)n1
InChIInChI=1S/C18H33N3/c1-13(2)7-9-16-11-17(10-8-14(3)4)21-18(20-16)19-12-15(5)6/h11,13-15H,7-10,12H2,1-6H3,(H,19,20,21)
InChIKeySWJREXKOMWYNRA-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine (CID 25128810) is 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CCc1cc(CCC(C)C)nc(NCC(C)C)n1.
What is the InChIKey of 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is SWJREXKOMWYNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-13(2)7-9-16-11-17(10-8-14(3)4)21-18(20-16)19-12-15(5)6/h11,13-15H,7-10,12H2,1-6H3,(H,19,20,21).
What are the key properties of 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine?
4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3-methylbutyl)-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 25128810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).