2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine

C14H25N3S — CID 65141140

IUPAC2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CSC(C)CC)nc(CC)c1C
InChIInChI=1S/C14H25N3S/c1-6-10(4)18-9-13-16-12(7-2)11(5)14(17-13)15-8-3/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyKWSIAUWFYGNFQT-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.81
Rot. Bonds7

About 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine

2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine (PubChem CID 65141140) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine
PubChem CID65141140
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CSC(C)CC)nc(CC)c1C
InChIInChI=1S/C14H25N3S/c1-6-10(4)18-9-13-16-12(7-2)11(5)14(17-13)15-8-3/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyKWSIAUWFYGNFQT-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-diethyl-2-(methoxymethyl)-5-methylpyrimidin-4-amine
CID 63559829
2-(butan-2-ylsulfanylmethyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66306382
5-bromo-2-(butan-2-ylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
CID 66293395
2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306899
3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine
CID 65141760
1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 65141299
2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63562496
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
N,6-diethyl-5-methyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 63561391
[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65141039
5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66298665
N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 65141350

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine (CID 65141140) is 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CSC(C)CC)nc(CC)c1C.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is KWSIAUWFYGNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-6-10(4)18-9-13-16-12(7-2)11(5)14(17-13)15-8-3/h10H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine?
2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 65141140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).