N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine

C10H12BrN5S — CID 146139510

IUPACN-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCc1nnsc1CN(C)Cc1ncc(Br)cn1
InChIInChI=1S/C10H12BrN5S/c1-7-9(17-15-14-7)5-16(2)6-10-12-3-8(11)4-13-10/h3-4H,5-6H2,1-2H3
InChIKeyHFCXYUWQNYFBPI-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.03
Rot. Bonds4

About N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine

N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 146139510) has the molecular formula C10H12BrN5S and a molecular weight of 314.21 g/mol. Its IUPAC name is N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
PubChem CID146139510
Molecular FormulaC10H12BrN5S
Molecular Weight314.21 g/mol
Exact Mass313.00
IUPAC NameN-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCc1nnsc1CN(C)Cc1ncc(Br)cn1
InChIInChI=1S/C10H12BrN5S/c1-7-9(17-15-14-7)5-16(2)6-10-12-3-8(11)4-13-10/h3-4H,5-6H2,1-2H3
InChIKeyHFCXYUWQNYFBPI-UHFFFAOYSA-N
XLogP2.03
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(4-methylthiadiazol-5-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 118787766
N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine
CID 146139507
N,N-dimethyl-1-[4-[[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]methyl]phenyl]ethanamine
CID 91764726
2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 50960843
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
CID 58773020
2-(5-bromopyrimidin-2-yl)-N,N-dimethylethanamine
CID 105487467
(E)-N,2-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3-phenylprop-2-en-1-amine
CID 50953822
1-[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
CID 124755799
1-(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
CID 91837900
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 91832676
1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine
CID 66764585
1-(4-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55262163

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (CID 146139510) is N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is Cc1nnsc1CN(C)Cc1ncc(Br)cn1.
What is the InChIKey of N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is HFCXYUWQNYFBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5S/c1-7-9(17-15-14-7)5-16(2)6-10-12-3-8(11)4-13-10/h3-4H,5-6H2,1-2H3.
What are the key properties of N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 314.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromopyrimidin-2-yl)methyl]-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 146139510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).