2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine

C13H22N4S — CID 80991755

IUPAC2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCC2CCCCS2)n1
InChIInChI=1S/C13H22N4S/c1-3-11-16-12(14)9(2)13(17-11)15-8-10-6-4-5-7-18-10/h10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyFWFUAWHLAHBIKE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.63
Rot. Bonds4

About 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine

2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80991755) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80991755
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCC2CCCCS2)n1
InChIInChI=1S/C13H22N4S/c1-3-11-16-12(14)9(2)13(17-11)15-8-10-6-4-5-7-18-10/h10H,3-8H2,1-2H3,(H3,14,15,16,17)
InChIKeyFWFUAWHLAHBIKE-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851915
6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 81007299
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991756
6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80978762
2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80982978
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985622
5-methyl-2-N-(thian-2-ylmethyl)pyridine-2,3-diamine
CID 80596479
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991863
2-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994083
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
6-methyl-2-(thian-2-ylmethylamino)pyridine-3-carbothioamide
CID 80600314

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine (CID 80991755) is 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCC2CCCCS2)n1.
What is the InChIKey of 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is FWFUAWHLAHBIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-11-16-12(14)9(2)13(17-11)15-8-10-6-4-5-7-18-10/h10H,3-8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine?
2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80991755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).