4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine

C15H25N3S — CID 64627044

IUPAC4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Sc1ccncn1
InChIInChI=1S/C15H25N3S/c1-3-8-17-13-6-5-12(4-2)10-14(13)19-15-7-9-16-11-18-15/h7,9,11-14,17H,3-6,8,10H2,1-2H3
InChIKeySHFCDCYYXZJDAC-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.52
Rot. Bonds6

About 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine

4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine (PubChem CID 64627044) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
PubChem CID64627044
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
SMILESCCCNC1CCC(CC)CC1Sc1ccncn1
InChIInChI=1S/C15H25N3S/c1-3-8-17-13-6-5-12(4-2)10-14(13)19-15-7-9-16-11-18-15/h7,9,11-14,17H,3-6,8,10H2,1-2H3
InChIKeySHFCDCYYXZJDAC-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-pyrimidin-4-ylsulfanylcycloheptan-1-amine
CID 64628658
4-ethyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621345
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
N-ethyl-4-(2-methylbutan-2-yl)-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64627642
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,4-diethylcyclohexan-1-amine
CID 64631654
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 106928037
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854
N-ethyl-2,2-dimethyl-5-pyrimidin-4-ylsulfanylcyclopentan-1-amine
CID 79862977
N,4-diethyl-2-phenylsulfanylcyclohexan-1-amine
CID 64620754
N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286
N-ethyl-4-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420563
N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64737359

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine (CID 64627044) is 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine is CCCNC1CCC(CC)CC1Sc1ccncn1.
What is the InChIKey of 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
The InChIKey is SHFCDCYYXZJDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-3-8-17-13-6-5-12(4-2)10-14(13)19-15-7-9-16-11-18-15/h7,9,11-14,17H,3-6,8,10H2,1-2H3.
What are the key properties of 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine?
4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-propyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64627044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).