N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine

C14H19BrN4S — CID 83185537

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
SMILESCCNCc1cnc(N(C)Cc2cc(Br)cs2)nc1C
InChIInChI=1S/C14H19BrN4S/c1-4-16-6-11-7-17-14(18-10(11)2)19(3)8-13-5-12(15)9-20-13/h5,7,9,16H,4,6,8H2,1-3H3
InChIKeyUISBMWNRRKAPEB-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.35
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine

N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine (PubChem CID 83185537) has the molecular formula C14H19BrN4S and a molecular weight of 355.31 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
PubChem CID83185537
Molecular FormulaC14H19BrN4S
Molecular Weight355.31 g/mol
Exact Mass354.05
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
SMILESCCNCc1cnc(N(C)Cc2cc(Br)cs2)nc1C
InChIInChI=1S/C14H19BrN4S/c1-4-16-6-11-7-17-14(18-10(11)2)19(3)8-13-5-12(15)9-20-13/h5,7,9,16H,4,6,8H2,1-3H3
InChIKeyUISBMWNRRKAPEB-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-bromothiophen-2-yl)methyl-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83183767
5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine
CID 83186463
N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097
[2-[(4-bromothiophen-2-yl)methyl-methylamino]pyrimidin-5-yl]methanol
CID 113387842
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185525
N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 83179075
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 83186171
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114925898
N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767191
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83185706

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine (CID 83185537) is N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine is CCNCc1cnc(N(C)Cc2cc(Br)cs2)nc1C.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine?
The InChIKey is UISBMWNRRKAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4S/c1-4-16-6-11-7-17-14(18-10(11)2)19(3)8-13-5-12(15)9-20-13/h5,7,9,16H,4,6,8H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine has a molecular weight of 355.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83185537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).