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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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 60626717
N-(2-acetamidoethyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 60704992
4-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-methylbut-2-enoic acid
CID 77075238
(4,6-diaminopyrimidin-2-yl)sulfanylmethanethiol
CID 141014203
2-[6-(4,6-diaminopyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidine-4,6-diamine
CID 13285556
2-[5-(4,6-diaminopyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine-4,6-diamine
CID 13285555
1-(4-tert-butylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone
CID 40622916
4-(4,6-diaminopyrimidin-2-yl)sulfanylbutan-1-ol
CID 61297348
methyl 2-(4-amino-6-methylpyrimidin-2-yl)sulfanylacetate
CID 37192190
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
ethyl 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]acetate
CID 647473
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 46562996

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).