methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione

C9H18N4S — CID 175193971

IUPACmethane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione
SMILESC.CNc1cnc(=S)[nH]c1NC(C)C
InChIInChI=1S/C8H14N4S.CH4/c1-5(2)11-7-6(9-3)4-10-8(13)12-7;/h4-5,9H,1-3H3,(H2,10,11,12,13);1H4
InChIKeyHMVFGMQZHJLKDG-UHFFFAOYSA-N
MW214.34 g/mol
LogP2.64
Rot. Bonds3

About methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione

methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione (PubChem CID 175193971) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Namemethane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione
PubChem CID175193971
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Namemethane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione
SMILESC.CNc1cnc(=S)[nH]c1NC(C)C
InChIInChI=1S/C8H14N4S.CH4/c1-5(2)11-7-6(9-3)4-10-8(13)12-7;/h4-5,9H,1-3H3,(H2,10,11,12,13);1H4
InChIKeyHMVFGMQZHJLKDG-UHFFFAOYSA-N
XLogP2.64
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione?
The IUPAC name of methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione (CID 175193971) is methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione.
What is the SMILES notation for methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione?
The canonical SMILES for methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione is C.CNc1cnc(=S)[nH]c1NC(C)C.
What is the InChIKey of methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione?
The InChIKey is HMVFGMQZHJLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S.CH4/c1-5(2)11-7-6(9-3)4-10-8(13)12-7;/h4-5,9H,1-3H3,(H2,10,11,12,13);1H4.
What are the key properties of methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione?
methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione has a molecular weight of 214.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(methylamino)-6-(propan-2-ylamino)-1H-pyrimidine-2-thione is sourced from PubChem (CID 175193971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).