2-propan-2-ylsulfanylpyrimidine-4,6-diamine

C7H12N4S — CID 60643387

IUPAC2-propan-2-ylsulfanylpyrimidine-4,6-diamine
SMILESCC(C)Sc1nc(N)cc(N)n1
InChIInChI=1S/C7H12N4S/c1-4(2)12-7-10-5(8)3-6(9)11-7/h3-4H,1-2H3,(H4,8,9,10,11)
InChIKeyRMOYNNRHQWPHAV-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.14
Rot. Bonds2

About 2-propan-2-ylsulfanylpyrimidine-4,6-diamine

2-propan-2-ylsulfanylpyrimidine-4,6-diamine (PubChem CID 60643387) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propan-2-ylsulfanylpyrimidine-4,6-diamine
PubChem CID60643387
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-propan-2-ylsulfanylpyrimidine-4,6-diamine
SMILESCC(C)Sc1nc(N)cc(N)n1
InChIInChI=1S/C7H12N4S/c1-4(2)12-7-10-5(8)3-6(9)11-7/h3-4H,1-2H3,(H4,8,9,10,11)
InChIKeyRMOYNNRHQWPHAV-UHFFFAOYSA-N
XLogP1.14
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-Triaminopyrimidine
CID 13863
4-Amino-6-chloro-2-methylthiopyrimidine
CID 70496
6-Methylthio-pyrimidine-2,4-diamine
CID 235893
2-Methylthiopyrimidine-4,6-diamine
CID 70497
(4,6-Diaminopyrimidin-2-yl)methanethiol
CID 237409
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-ylsulfanyl)-propionic acid
CID 2772430
2-(4,6-Diaminopyrimidin-2-yl)sulfanylacetamide
CID 459830
4-Pyrimidinamine, 2-(ethylthio)-
CID 565730
3-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-propionic acid
CID 549214

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-propan-2-ylsulfanylpyrimidine-4,6-diamine (CID 60643387) is 2-propan-2-ylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-propan-2-ylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-propan-2-ylsulfanylpyrimidine-4,6-diamine is CC(C)Sc1nc(N)cc(N)n1.
What is the InChIKey of 2-propan-2-ylsulfanylpyrimidine-4,6-diamine?
The InChIKey is RMOYNNRHQWPHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-4(2)12-7-10-5(8)3-6(9)11-7/h3-4H,1-2H3,(H4,8,9,10,11).
What are the key properties of 2-propan-2-ylsulfanylpyrimidine-4,6-diamine?
2-propan-2-ylsulfanylpyrimidine-4,6-diamine has a molecular weight of 184.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 60643387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).