N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine

C17H26N4S — CID 59340665

IUPACN,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
SMILESCCCCN(CCCC)c1cc(C)nc(-c2csc(C)n2)n1
InChIInChI=1S/C17H26N4S/c1-5-7-9-21(10-8-6-2)16-11-13(3)18-17(20-16)15-12-22-14(4)19-15/h11-12H,5-10H2,1-4H3
InChIKeyOSZJFNBZKQGTKK-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.62
Rot. Bonds8

About N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine

N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine (PubChem CID 59340665) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
PubChem CID59340665
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC NameN,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
SMILESCCCCN(CCCC)c1cc(C)nc(-c2csc(C)n2)n1
InChIInChI=1S/C17H26N4S/c1-5-7-9-21(10-8-6-2)16-11-13(3)18-17(20-16)15-12-22-14(4)19-15/h11-12H,5-10H2,1-4H3
InChIKeyOSZJFNBZKQGTKK-UHFFFAOYSA-N
XLogP4.62
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine (CID 59340665) is N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine is CCCCN(CCCC)c1cc(C)nc(-c2csc(C)n2)n1.
What is the InChIKey of N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The InChIKey is OSZJFNBZKQGTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-5-7-9-21(10-8-6-2)16-11-13(3)18-17(20-16)15-12-22-14(4)19-15/h11-12H,5-10H2,1-4H3.
What are the key properties of N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine has a molecular weight of 318.49 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-methyl-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 59340665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).