4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine

C15H21BrN4S — CID 80785596

IUPAC4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H21BrN4S/c1-4-6-12-14(17-5-2)18-10-19-15(12)20(3)8-11-7-13(16)21-9-11/h7,9-10H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyCKWNMRLJRXAXAZ-UHFFFAOYSA-N
MW369.33 g/mol
LogP4.32
Rot. Bonds7

About 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80785596) has the molecular formula C15H21BrN4S and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80785596
Molecular FormulaC15H21BrN4S
Molecular Weight369.33 g/mol
Exact Mass368.07
IUPAC Name4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C15H21BrN4S/c1-4-6-12-14(17-5-2)18-10-19-15(12)20(3)8-11-7-13(16)21-9-11/h7,9-10H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyCKWNMRLJRXAXAZ-UHFFFAOYSA-N
XLogP4.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(5-bromothiophen-3-yl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80804664
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80905130
6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
6-N,5-diethyl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80799762
N-[(4-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-propylpyrimidin-4-amine
CID 80899566
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80804328
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
6-hydrazinyl-N-methyl-5-propyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906104
N-[(4-bromophenyl)methyl]-6-chloro-N-methyl-5-propylpyrimidin-4-amine
CID 63729447

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80785596) is 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1N(C)Cc1csc(Br)c1.
What is the InChIKey of 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is CKWNMRLJRXAXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4S/c1-4-6-12-14(17-5-2)18-10-19-15(12)20(3)8-11-7-13(16)21-9-11/h7,9-10H,4-6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 369.33 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80785596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).