2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C17H29N3S — CID 64632318

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1Sc1nc(C)cc(C)n1
InChIInChI=1S/C17H29N3S/c1-6-18-15-8-7-14(11(2)3)10-16(15)21-17-19-12(4)9-13(5)20-17/h9,11,14-16,18H,6-8,10H2,1-5H3
InChIKeyGUHFBKDECUMNEL-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.99
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 64632318) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID64632318
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1Sc1nc(C)cc(C)n1
InChIInChI=1S/C17H29N3S/c1-6-18-15-8-7-14(11(2)3)10-16(15)21-17-19-12(4)9-13(5)20-17/h9,11,14-16,18H,6-8,10H2,1-5H3
InChIKeyGUHFBKDECUMNEL-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyloxan-4-amine
CID 64634495
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62707865
N,4-diethyl-2-(4-methylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 64634854
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,2-dimethylcyclopentan-1-amine
CID 64906756
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-(2-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64613092
methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
CID 64613535
N-ethyl-2-(3-methoxypropylsulfanyl)-4-propan-2-ylcyclohexan-1-amine
CID 64626260
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 102926543
4-tert-butyl-N-ethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64628332
4-methyl-3-[5-propan-2-yl-2-(propylamino)cyclohexyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64634352

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 64632318) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1Sc1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is GUHFBKDECUMNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-6-18-15-8-7-14(11(2)3)10-16(15)21-17-19-12(4)9-13(5)20-17/h9,11,14-16,18H,6-8,10H2,1-5H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 307.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 64632318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).