2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

C13H19N7S — CID 80943080

IUPAC2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C13H19N7S/c1-3-5-10-19-11(16-4-2)7-12(20-10)21-13-17-8(14)6-9(15)18-13/h6-7H,3-5H2,1-2H3,(H,16,19,20)(H4,14,15,17,18)
InChIKeyHLMYESRMZRWHNL-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.97
Rot. Bonds6

About 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine

2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (PubChem CID 80943080) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
PubChem CID80943080
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C13H19N7S/c1-3-5-10-19-11(16-4-2)7-12(20-10)21-13-17-8(14)6-9(15)18-13/h6-7H,3-5H2,1-2H3,(H,16,19,20)(H4,14,15,17,18)
InChIKeyHLMYESRMZRWHNL-UHFFFAOYSA-N
XLogP1.97
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
6-(4-bromophenyl)sulfanyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80949865
(2-propyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80947503
N-ethyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949863
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80892286
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 80946926
6-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-2-propylpyrimidin-4-amine
CID 80947795
2-propylpyrimidine-4,6-diamine
CID 67304918
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N,2-dipropylpyrimidin-4-amine
CID 106928672
6-(4-methylphenyl)sulfanyl-N,2-dipropylpyrimidin-4-amine
CID 80942664

Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine (CID 80943080) is 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(Sc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
The InChIKey is HLMYESRMZRWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-3-5-10-19-11(16-4-2)7-12(20-10)21-13-17-8(14)6-9(15)18-13/h6-7H,3-5H2,1-2H3,(H,16,19,20)(H4,14,15,17,18).
What are the key properties of 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine?
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine has a molecular weight of 305.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80943080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).