2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine

C8H11ClN4S — CID 106438643

IUPAC2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine
SMILESC/C(=C/Cl)CSc1nc(N)cc(N)n1
InChIInChI=1S/C8H11ClN4S/c1-5(3-9)4-14-8-12-6(10)2-7(11)13-8/h2-3H,4H2,1H3,(H4,10,11,12,13)/b5-3-
InChIKeyKNBUAKNNYHYVGR-HYXAFXHYSA-N
MW230.72 g/mol
LogP1.88
Rot. Bonds3

About 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine

2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine (PubChem CID 106438643) has the molecular formula C8H11ClN4S and a molecular weight of 230.72 g/mol. Its IUPAC name is 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine
PubChem CID106438643
Molecular FormulaC8H11ClN4S
Molecular Weight230.72 g/mol
Exact Mass230.04
IUPAC Name2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine
SMILESC/C(=C/Cl)CSc1nc(N)cc(N)n1
InChIInChI=1S/C8H11ClN4S/c1-5(3-9)4-14-8-12-6(10)2-7(11)13-8/h2-3H,4H2,1H3,(H4,10,11,12,13)/b5-3-
InChIKeyKNBUAKNNYHYVGR-HYXAFXHYSA-N
XLogP1.88
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine (CID 106438643) is 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine is C/C(=C/Cl)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine?
The InChIKey is KNBUAKNNYHYVGR-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H11ClN4S/c1-5(3-9)4-14-8-12-6(10)2-7(11)13-8/h2-3H,4H2,1H3,(H4,10,11,12,13)/b5-3-.
What are the key properties of 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine?
2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine has a molecular weight of 230.72 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chloro-2-methylprop-2-enyl]sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 106438643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).