2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine

C8H15N5S — CID 823523

IUPAC2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine
SMILESCN(C)CCSc1nc(N)cc(N)n1
InChIInChI=1S/C8H15N5S/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3,(H4,9,10,11,12)
InChIKeySPLRXVBNZQOTLM-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.29
Rot. Bonds4

About 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine

2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 823523) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine
PubChem CID823523
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine
SMILESCN(C)CCSc1nc(N)cc(N)n1
InChIInChI=1S/C8H15N5S/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3,(H4,9,10,11,12)
InChIKeySPLRXVBNZQOTLM-UHFFFAOYSA-N
XLogP0.29
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methylthio-pyrimidine-2,4-diamine
CID 235893
2-Methylthiopyrimidine-4,6-diamine
CID 70497
2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 857392
(4,6-Diaminopyrimidin-2-yl)methanethiol
CID 237409
4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
CID 79006691
2,2'-(Butane-1,4-diyldisulfanediyl)bis(6-imino-1,6-dihydropyrimidin-4-amine)
CID 2187682
N4,N4-dimethylpyrimidine-2,4,6-triamine
CID 23423800
2-(2-Piperidin-1-yl-ethylsulfanyl)-pyrimidine-4,6-diamine
CID 649133
2-(4,6-Diaminopyrimidin-2-yl)sulfanylacetamide
CID 459830
4-Pyrimidinamine, 2-(ethylthio)-
CID 565730
[(4,6-Diamino-2-pyrimidinyl)sulfanyl]acetonitrile
CID 3167959
Thiazolo(3,2-a)pyrimidin-4-ium, 2,3-dihydro-5,7-diamino-, bromide
CID 13285547

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine (CID 823523) is 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine is CN(C)CCSc1nc(N)cc(N)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is SPLRXVBNZQOTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-13(2)3-4-14-8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3,(H4,9,10,11,12).
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine?
2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 213.31 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 823523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).