2-methyl-6-(propylamino)pyrimidine-4-carbothioamide

C9H14N4S — CID 130631586

IUPAC2-methyl-6-(propylamino)pyrimidine-4-carbothioamide
SMILESCCCNc1cc(C(N)=S)nc(C)n1
InChIInChI=1S/C9H14N4S/c1-3-4-11-8-5-7(9(10)14)12-6(2)13-8/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyXRRZDVASIBKCQH-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.24
Rot. Bonds4

About 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide

2-methyl-6-(propylamino)pyrimidine-4-carbothioamide (PubChem CID 130631586) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(propylamino)pyrimidine-4-carbothioamide
PubChem CID130631586
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name2-methyl-6-(propylamino)pyrimidine-4-carbothioamide
SMILESCCCNc1cc(C(N)=S)nc(C)n1
InChIInChI=1S/C9H14N4S/c1-3-4-11-8-5-7(9(10)14)12-6(2)13-8/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyXRRZDVASIBKCQH-UHFFFAOYSA-N
XLogP1.24
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(benzylamino)-2-methylpyrimidine-4-carbothioamide
CID 130655265
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117490
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-methyl-6-(propylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109360086
2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109360003
2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 80787489
2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780616
2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848388
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide (CID 130631586) is 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide is CCCNc1cc(C(N)=S)nc(C)n1.
What is the InChIKey of 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide?
The InChIKey is XRRZDVASIBKCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-3-4-11-8-5-7(9(10)14)12-6(2)13-8/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide?
2-methyl-6-(propylamino)pyrimidine-4-carbothioamide has a molecular weight of 210.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propylamino)pyrimidine-4-carbothioamide is sourced from PubChem (CID 130631586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).