6-amino-2-propan-2-yl-1H-pyrimidine-4-thione

C7H11N3S — CID 82457320

IUPAC6-amino-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(N)[nH]1
InChIInChI=1S/C7H11N3S/c1-4(2)7-9-5(8)3-6(11)10-7/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyKZUTUHSWQKYMNL-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.84
Rot. Bonds1

About 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione

6-amino-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 82457320) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-amino-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID82457320
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name6-amino-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1nc(=S)cc(N)[nH]1
InChIInChI=1S/C7H11N3S/c1-4(2)7-9-5(8)3-6(11)10-7/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKeyKZUTUHSWQKYMNL-UHFFFAOYSA-N
XLogP1.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.84
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-amino-2-ethyl-5-fluoro-1H-pyrimidine-4-thione
CID 21541189
6-amino-2-methyl-4(3H)-Pyrimidinethione
CID 14242676
CID 153352170
CID 153352170
6-(tert-butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457149
2-methyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457175
2-ethyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457203
6-(tert-butylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457212
2-ethyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457237
6-amino-2-ethyl-1H-pyrimidine-4-thione
CID 82457263
6-(methylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457264
6-(ethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457265
6-(tert-butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457273

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione (CID 82457320) is 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1nc(=S)cc(N)[nH]1.
What is the InChIKey of 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is KZUTUHSWQKYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-4(2)7-9-5(8)3-6(11)10-7/h3-4H,1-2H3,(H3,8,9,10,11).
What are the key properties of 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione?
6-amino-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 169.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).