4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine

C16H22Cl2N6O2S2 — CID 163203070

IUPAC4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1nc(Cl)c(N)c(OCCOc2nc(SCCC)nc(Cl)c2N)n1
InChIInChI=1S/C16H22Cl2N6O2S2/c1-3-7-27-15-21-11(17)9(19)13(23-15)25-5-6-26-14-10(20)12(18)22-16(24-14)28-8-4-2/h3-8,19-20H2,1-2H3
InChIKeyUMMYRRGGFDZNLY-UHFFFAOYSA-N
MW465.43 g/mol
LogP4.20
Rot. Bonds11

About 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine

4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine (PubChem CID 163203070) has the molecular formula C16H22Cl2N6O2S2 and a molecular weight of 465.43 g/mol. Its IUPAC name is 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine
PubChem CID163203070
Molecular FormulaC16H22Cl2N6O2S2
Molecular Weight465.43 g/mol
Exact Mass464.06
IUPAC Name4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine
SMILESCCCSc1nc(Cl)c(N)c(OCCOc2nc(SCCC)nc(Cl)c2N)n1
InChIInChI=1S/C16H22Cl2N6O2S2/c1-3-7-27-15-21-11(17)9(19)13(23-15)25-5-6-26-14-10(20)12(18)22-16(24-14)28-8-4-2/h3-8,19-20H2,1-2H3
InChIKeyUMMYRRGGFDZNLY-UHFFFAOYSA-N
XLogP4.20
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine 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-chloro-6-(methylideneamino)-2-propylsulfanylpyrimidin-5-amine
CID 118889125
6-chloro-4-N-prop-2-enyl-2-propylsulfanylpyrimidine-4,5-diamine
CID 139420056
6-chloro-4-N-[(2-methylpyrimidin-5-yl)methyl]-2-propylsulfanylpyrimidine-4,5-diamine
CID 122671787
4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 130234648
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
6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine
CID 166876327
4-chloro-5,6-dimethyl-2-propylsulfanylthieno[2,3-d]pyrimidine
CID 82316401
2-[(1R,2S,3S)-3-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2-fluorocyclopentyl]oxyethanol;ethane;propane-2,2-diol
CID 144529089
2-propylsulfanylpyrimidin-4-amine
CID 565451
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
4-chloro-6-methyl-5-nitro-2-propylsulfanylpyrimidine
CID 90395890

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine (CID 163203070) is 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine is CCCSc1nc(Cl)c(N)c(OCCOc2nc(SCCC)nc(Cl)c2N)n1.
What is the InChIKey of 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine?
The InChIKey is UMMYRRGGFDZNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N6O2S2/c1-3-7-27-15-21-11(17)9(19)13(23-15)25-5-6-26-14-10(20)12(18)22-16(24-14)28-8-4-2/h3-8,19-20H2,1-2H3.
What are the key properties of 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine?
4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine has a molecular weight of 465.43 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)oxyethoxy]-6-chloro-2-propylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 163203070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).