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

C14H19BrN4S — CID 106043147

IUPAC4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCc1ccc(Br)s1
InChIInChI=1S/C14H19BrN4S/c1-3-4-11-13(16-2)18-9-19-14(11)17-8-7-10-5-6-12(15)20-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyVDVSPQVWVFFHNI-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.95
Rot. Bonds7

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

4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 106043147) has the molecular formula C14H19BrN4S and a molecular weight of 355.31 g/mol. Its IUPAC name is 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID106043147
Molecular FormulaC14H19BrN4S
Molecular Weight355.31 g/mol
Exact Mass354.05
IUPAC Name4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCCc1ccc(Br)s1
InChIInChI=1S/C14H19BrN4S/c1-3-4-11-13(16-2)18-9-19-14(11)17-8-7-10-5-6-12(15)20-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyVDVSPQVWVFFHNI-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106043160
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-N-methyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766055
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
6-N-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424383
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106043930
4-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106043042
4-N-(4-bromophenyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80761074

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 106043147) is 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCCc1ccc(Br)s1.
What is the InChIKey of 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is VDVSPQVWVFFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4S/c1-3-4-11-13(16-2)18-9-19-14(11)17-8-7-10-5-6-12(15)20-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 355.31 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106043147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).