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

C15H21ClN4S — CID 80939996

IUPAC4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)Cc2ccc(Cl)s2)nc(CC)n1
InChIInChI=1S/C15H21ClN4S/c1-4-8-17-14-9-15(19-13(5-2)18-14)20(3)10-11-6-7-12(16)21-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,18,19)
InChIKeyMAUKFTJVLRAUTK-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.21
Rot. Bonds7

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

4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80939996) has the molecular formula C15H21ClN4S and a molecular weight of 324.88 g/mol. Its IUPAC name is 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80939996
Molecular FormulaC15H21ClN4S
Molecular Weight324.88 g/mol
Exact Mass324.12
IUPAC Name4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)Cc2ccc(Cl)s2)nc(CC)n1
InChIInChI=1S/C15H21ClN4S/c1-4-8-17-14-9-15(19-13(5-2)18-14)20(3)10-11-6-7-12(16)21-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,18,19)
InChIKeyMAUKFTJVLRAUTK-UHFFFAOYSA-N
XLogP4.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80933820
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
6-N,2-diethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934269
4-N-(2-ethoxyethyl)-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 81068419
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-6-methylpyrimidin-4-amine
CID 114276507
2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
CID 78918157
4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80934723
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N,2,5-trimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80780316

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80939996) is 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)Cc2ccc(Cl)s2)nc(CC)n1.
What is the InChIKey of 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MAUKFTJVLRAUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4S/c1-4-8-17-14-9-15(19-13(5-2)18-14)20(3)10-11-6-7-12(16)21-11/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 324.88 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80939996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).