N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine

C15H27N3S — CID 90736918

IUPACN-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine
SMILESCCC(CC)C(CCC(C)SC)Nc1ccncn1
InChIInChI=1S/C15H27N3S/c1-5-13(6-2)14(8-7-12(3)19-4)18-15-9-10-16-11-17-15/h9-14H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyRFVYFANRHHZFMY-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.22
Rot. Bonds9

About N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine

N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine (PubChem CID 90736918) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine
PubChem CID90736918
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine
SMILESCCC(CC)C(CCC(C)SC)Nc1ccncn1
InChIInChI=1S/C15H27N3S/c1-5-13(6-2)14(8-7-12(3)19-4)18-15-9-10-16-11-17-15/h9-14H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyRFVYFANRHHZFMY-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropentan-3-yl)pyrimidin-4-amine
CID 131162695
N-(2-chloro-3-ethylpentyl)pyrimidin-4-amine
CID 106286880
N-hexan-3-ylpyrimidin-4-amine
CID 62117651
N-(4-chlorobutan-2-yl)pyrimidin-4-amine
CID 83187601
3-N-pyrimidin-4-ylbutane-1,3-diamine
CID 83178912
3-ethyl-1-(pyrimidin-4-ylamino)pentan-2-ol
CID 106287831
N-hex-1-yn-3-ylpyrimidin-4-amine
CID 106231448
N-(1-chloro-3-methoxypropan-2-yl)pyrimidin-4-amine
CID 106181660
ethane;N-ethylpyrimidin-4-amine
CID 167491074
N-ethyl-N-methyl-2-(pyrimidin-4-ylamino)propanamide
CID 103111508
5-methoxy-2-(pyrimidin-4-ylamino)pentanoic acid
CID 81077805
N-methyl-2-pyrimidin-4-ylsulfanylpentan-3-amine
CID 64627855

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine (CID 90736918) is N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine is CCC(CC)C(CCC(C)SC)Nc1ccncn1.
What is the InChIKey of N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine?
The InChIKey is RFVYFANRHHZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-13(6-2)14(8-7-12(3)19-4)18-15-9-10-16-11-17-15/h9-14H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine?
N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine has a molecular weight of 281.47 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-7-methylsulfanyloctan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 90736918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).