4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine

C15H21ClN4S — CID 80941712

IUPAC4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C15H21ClN4S/c1-4-6-13-19-14(17-5-2)9-15(20-13)18-10(3)11-7-8-12(16)21-11/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyHIYPCQLZOLNATM-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.75
Rot. Bonds7

About 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine

4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80941712) has the molecular formula C15H21ClN4S and a molecular weight of 324.88 g/mol. Its IUPAC name is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80941712
Molecular FormulaC15H21ClN4S
Molecular Weight324.88 g/mol
Exact Mass324.12
IUPAC Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C15H21ClN4S/c1-4-6-13-19-14(17-5-2)9-15(20-13)18-10(3)11-7-8-12(16)21-11/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKeyHIYPCQLZOLNATM-UHFFFAOYSA-N
XLogP4.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964990
6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80940280
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
CID 62180370
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4,6-triamine
CID 80781743
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 106043791
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80897987
4-[1-(5-chlorothiophen-2-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974797
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80804014
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide
CID 80954522

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine (CID 80941712) is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(NC(C)c2ccc(Cl)s2)n1.
What is the InChIKey of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is HIYPCQLZOLNATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4S/c1-4-6-13-19-14(17-5-2)9-15(20-13)18-10(3)11-7-8-12(16)21-11/h7-10H,4-6H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 324.88 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).