6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine

C13H21N3OS — CID 114116966

IUPAC6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCC2(SC)CCC2)c1C
InChIInChI=1S/C13H21N3OS/c1-4-17-12-10(2)11(15-9-16-12)14-8-13(18-3)6-5-7-13/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZTZXMNBRYZLKSE-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.88
Rot. Bonds6

About 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine

6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine (PubChem CID 114116966) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine
PubChem CID114116966
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCC2(SC)CCC2)c1C
InChIInChI=1S/C13H21N3OS/c1-4-17-12-10(2)11(15-9-16-12)14-8-13(18-3)6-5-7-13/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyZTZXMNBRYZLKSE-UHFFFAOYSA-N
XLogP2.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327090
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 103969275
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
6-ethoxy-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylpyrimidin-4-amine
CID 104762708
5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114117730
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
6-N-methyl-4-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 107268707
5,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107265827
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300137
6-ethoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114128058

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine (CID 114116966) is 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine is CCOc1ncnc(NCC2(SC)CCC2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine?
The InChIKey is ZTZXMNBRYZLKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-17-12-10(2)11(15-9-16-12)14-8-13(18-3)6-5-7-13/h9H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine?
6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114116966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).