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

C15H25N3S — CID 82457503

IUPAC2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)(C)CC(C)(C)Nc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C15H25N3S/c1-14(2,3)9-15(4,5)18-11-8-12(19)17-13(16-11)10-6-7-10/h8,10H,6-7,9H2,1-5H3,(H2,16,17,18,19)
InChIKeyWBJSSJCHTYCMAT-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.64
Rot. Bonds4

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

2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457503) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457503
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCC(C)(C)CC(C)(C)Nc1cc(=S)nc(C2CC2)[nH]1
InChIInChI=1S/C15H25N3S/c1-14(2,3)9-15(4,5)18-11-8-12(19)17-13(16-11)10-6-7-10/h8,10H,6-7,9H2,1-5H3,(H2,16,17,18,19)
InChIKeyWBJSSJCHTYCMAT-UHFFFAOYSA-N
XLogP4.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.64
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

2-methyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457157
2-ethyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457219
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-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457393
6-(tert-butylamino)-2-cyclopropyl-1H-pyrimidine-4-thione
CID 82457496
6-(tert-butylamino)-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457637
2-(2-methylpropyl)-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457644

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457503) is 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione is CC(C)(C)CC(C)(C)Nc1cc(=S)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is WBJSSJCHTYCMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-14(2,3)9-15(4,5)18-11-8-12(19)17-13(16-11)10-6-7-10/h8,10H,6-7,9H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 279.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,4,4-trimethylpentan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).