4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

C10H11BrN4S — CID 80805322

IUPAC4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1csc(Br)c1)c1ccnc(N)n1
InChIInChI=1S/C10H11BrN4S/c1-15(5-7-4-8(11)16-6-7)9-2-3-13-10(12)14-9/h2-4,6H,5H2,1H3,(H2,12,13,14)
InChIKeyFVYWWPHIQZEQMR-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.52
Rot. Bonds3

About 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine

4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80805322) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID80805322
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1csc(Br)c1)c1ccnc(N)n1
InChIInChI=1S/C10H11BrN4S/c1-15(5-7-4-8(11)16-6-7)9-2-3-13-10(12)14-9/h2-4,6H,5H2,1H3,(H2,12,13,14)
InChIKeyFVYWWPHIQZEQMR-UHFFFAOYSA-N
XLogP2.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(5-bromothiophen-3-yl)methyl]-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80804328
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80805230
4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 62464675
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
2-N-[(5-bromothiophen-3-yl)methyl]-6-chloro-2-N-methylpyridine-2,3-diamine
CID 113316842
[6-[(5-bromothiophen-3-yl)methyl-methylamino]-3-pyridinyl]methanol
CID 54986955
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 114926094
N-[(5-bromothiophen-3-yl)methyl]-2-cyclopropyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80963819
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287410
N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 80904273
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541784

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine (CID 80805322) is 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine is CN(Cc1csc(Br)c1)c1ccnc(N)n1.
What is the InChIKey of 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is FVYWWPHIQZEQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c1-15(5-7-4-8(11)16-6-7)9-2-3-13-10(12)14-9/h2-4,6H,5H2,1H3,(H2,12,13,14).
What are the key properties of 4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine?
4-N-[(5-bromothiophen-3-yl)methyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 299.20 g/mol, XLogP of 2.52, 3 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]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80805322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).