6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine

C10H15ClN4S — CID 139420056

IUPAC6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine
SMILESC=CCNc1nc(SCCC)nc(Cl)c1N
InChIInChI=1S/C10H15ClN4S/c1-3-5-13-9-7(12)8(11)14-10(15-9)16-6-4-2/h3H,1,4-6,12H2,2H3,(H,13,14,15)
InChIKeyZKEXLFJXSDJBDL-UHFFFAOYSA-N
MW258.78 g/mol
LogP2.81
Rot. Bonds6

About 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine

6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine (PubChem CID 139420056) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine
PubChem CID139420056
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine
SMILESC=CCNc1nc(SCCC)nc(Cl)c1N
InChIInChI=1S/C10H15ClN4S/c1-3-5-13-9-7(12)8(11)14-10(15-9)16-6-4-2/h3H,1,4-6,12H2,2H3,(H,13,14,15)
InChIKeyZKEXLFJXSDJBDL-UHFFFAOYSA-N
XLogP2.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 130234648
6-chloro-4-N-[(2-methylpyrimidin-5-yl)methyl]-2-propylsulfanylpyrimidine-4,5-diamine
CID 122671787
4-chloro-6-(methylideneamino)-2-propylsulfanylpyrimidin-5-amine
CID 118889125
6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine
CID 166876327
acetylene;3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]cyclopentan-1-ol;propane-2,2-diol
CID 144529026
4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine
CID 163203070
cis-(3R,5S)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 90269338
(1R,2R,3S,5R)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 90258403
4-N-[(3aR,4S,6R,6aS)-4-ethoxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89036173
2-[(1R,2S,3S)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2-fluorocyclopentyl]oxyethanol;ethane;propane-2,2-diol
CID 144529089
4-N-(3-methylpentyl)-2-propylsulfanylpyrimidine-4,5,6-triamine
CID 144529172
4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine
CID 69476045

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine (CID 139420056) is 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine is C=CCNc1nc(SCCC)nc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine?
The InChIKey is ZKEXLFJXSDJBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c1-3-5-13-9-7(12)8(11)14-10(15-9)16-6-4-2/h3H,1,4-6,12H2,2H3,(H,13,14,15).
What are the key properties of 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine?
6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine has a molecular weight of 258.78 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 139420056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).