2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

C13H19N7S — CID 80990475

IUPAC2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(Sc2nc(N)cc(N)n2)c1C
InChIInChI=1S/C13H19N7S/c1-4-10-19-11(16-5-2)7(3)12(20-10)21-13-17-8(14)6-9(15)18-13/h6H,4-5H2,1-3H3,(H,16,19,20)(H4,14,15,17,18)
InChIKeyXJOCCRUDBSTBPN-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.88
Rot. Bonds5

About 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (PubChem CID 80990475) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
PubChem CID80990475
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCNc1nc(CC)nc(Sc2nc(N)cc(N)n2)c1C
InChIInChI=1S/C13H19N7S/c1-4-10-19-11(16-5-2)7(3)12(20-10)21-13-17-8(14)6-9(15)18-13/h6H,4-5H2,1-3H3,(H,16,19,20)(H4,14,15,17,18)
InChIKeyXJOCCRUDBSTBPN-UHFFFAOYSA-N
XLogP1.88
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
2-ethyl-N,5-dimethyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80995265
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 106928644
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (CID 80990475) is 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is CCNc1nc(CC)nc(Sc2nc(N)cc(N)n2)c1C.
What is the InChIKey of 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The InChIKey is XJOCCRUDBSTBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-4-10-19-11(16-5-2)7(3)12(20-10)21-13-17-8(14)6-9(15)18-13/h6H,4-5H2,1-3H3,(H,16,19,20)(H4,14,15,17,18).
What are the key properties of 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine has a molecular weight of 305.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80990475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).