4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine

C14H19BrN4S — CID 80934723

IUPAC4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2cc(Br)cs2)nc(CC)n1
InChIInChI=1S/C14H19BrN4S/c1-4-12-17-13(16-5-2)7-14(18-12)19(3)8-11-6-10(15)9-20-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,17,18)
InChIKeyABYXSNAWUFKWAW-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.93
Rot. Bonds6

About 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine

4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80934723) has the molecular formula C14H19BrN4S and a molecular weight of 355.31 g/mol. Its IUPAC name is 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80934723
Molecular FormulaC14H19BrN4S
Molecular Weight355.31 g/mol
Exact Mass354.05
IUPAC Name4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(C)Cc2cc(Br)cs2)nc(CC)n1
InChIInChI=1S/C14H19BrN4S/c1-4-12-17-13(16-5-2)7-14(18-12)19(3)8-11-6-10(15)9-20-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,17,18)
InChIKeyABYXSNAWUFKWAW-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80961694
6-N,2-diethyl-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934269
4-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80939996
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640092
4-N,6-N,2-triethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933060
4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80804328
6-N,2-diethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933374
4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80940477
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butyl-6-chloro-N-methylpyrimidin-4-amine
CID 80953513
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 80933651
2-ethyl-6-hydrazinyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80937691
6-N-ethyl-4-N,2-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811827

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine (CID 80934723) is 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine is CCNc1cc(N(C)Cc2cc(Br)cs2)nc(CC)n1.
What is the InChIKey of 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is ABYXSNAWUFKWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4S/c1-4-12-17-13(16-5-2)7-14(18-12)19(3)8-11-6-10(15)9-20-11/h6-7,9H,4-5,8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine?
4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 355.31 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromothiophen-2-yl)methyl]-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).