2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione

C10H15N3S — CID 82457282

IUPAC2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
SMILESC=CCNc1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C10H15N3S/c1-4-5-11-8-6-9(14)13-10(12-8)7(2)3/h4,6-7H,1,5H2,2-3H3,(H2,11,12,13,14)
InChIKeyRUKBBRBQXWOOKF-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.86
Rot. Bonds4

About 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione

2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione (PubChem CID 82457282) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
PubChem CID82457282
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
SMILESC=CCNc1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C10H15N3S/c1-4-5-11-8-6-9(14)13-10(12-8)7(2)3/h4,6-7H,1,5H2,2-3H3,(H2,11,12,13,14)
InChIKeyRUKBBRBQXWOOKF-UHFFFAOYSA-N
XLogP2.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
CID 143033433
6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457112
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
CID 82457159
6-(butan-2-ylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457171
2-methyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457175
2-methyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457184
2-ethyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457203
2-ethyl-6-(ethylamino)-1H-pyrimidine-4-thione
CID 82457204
2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457205

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione (CID 82457282) is 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione is C=CCNc1cc(=S)nc(C(C)C)[nH]1.
What is the InChIKey of 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The InChIKey is RUKBBRBQXWOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-4-5-11-8-6-9(14)13-10(12-8)7(2)3/h4,6-7H,1,5H2,2-3H3,(H2,11,12,13,14).
What are the key properties of 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione has a molecular weight of 209.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(prop-2-enylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).