2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione

C14H25N3S — CID 82457219

IUPAC2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC(C)(C)CC(C)(C)C)[nH]1
InChIInChI=1S/C14H25N3S/c1-7-10-15-11(8-12(18)16-10)17-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H2,15,16,17,18)
InChIKeyOOBHAMRTVJJZFS-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.33
Rot. Bonds4

About 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione

2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457219) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457219
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC(C)(C)CC(C)(C)C)[nH]1
InChIInChI=1S/C14H25N3S/c1-7-10-15-11(8-12(18)16-10)17-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H2,15,16,17,18)
InChIKeyOOBHAMRTVJJZFS-UHFFFAOYSA-N
XLogP4.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457093
2-methyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457157
6-(tert-butylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457212
6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457273
2-propan-2-yl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457280
6-(tert-butylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457330
2-propyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457337
2-tert-butyl-6-(tert-butylamino)-1H-pyrimidine-4-thione
CID 82457386
2-tert-butyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457393
6-(tert-butylamino)-2-cyclopropyl-1H-pyrimidine-4-thione
CID 82457496
2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457503
6-(tert-butylamino)-2-cyclohexyl-1H-pyrimidine-4-thione
CID 82457553

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457219) is 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NC(C)(C)CC(C)(C)C)[nH]1.
What is the InChIKey of 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is OOBHAMRTVJJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-7-10-15-11(8-12(18)16-10)17-14(5,6)9-13(2,3)4/h8H,7,9H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 267.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).