N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine

C12H17BrN6 — CID 146139507

IUPACN-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine
SMILESCCn1nc(C)c(CN(C)Cc2ncc(Br)cn2)n1
InChIInChI=1S/C12H17BrN6/c1-4-19-16-9(2)11(17-19)7-18(3)8-12-14-5-10(13)6-15-12/h5-6H,4,7-8H2,1-3H3
InChIKeyNGCLBSXXAJJADA-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.79
Rot. Bonds5

About N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine

N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine (PubChem CID 146139507) has the molecular formula C12H17BrN6 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine
PubChem CID146139507
Molecular FormulaC12H17BrN6
Molecular Weight325.21 g/mol
Exact Mass324.07
IUPAC NameN-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine
SMILESCCn1nc(C)c(CN(C)Cc2ncc(Br)cn2)n1
InChIInChI=1S/C12H17BrN6/c1-4-19-16-9(2)11(17-19)7-18(3)8-12-14-5-10(13)6-15-12/h5-6H,4,7-8H2,1-3H3
InChIKeyNGCLBSXXAJJADA-UHFFFAOYSA-N
XLogP1.79
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine?
The IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine (CID 146139507) is N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine?
The canonical SMILES for N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine is CCn1nc(C)c(CN(C)Cc2ncc(Br)cn2)n1.
What is the InChIKey of N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine?
The InChIKey is NGCLBSXXAJJADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN6/c1-4-19-16-9(2)11(17-19)7-18(3)8-12-14-5-10(13)6-15-12/h5-6H,4,7-8H2,1-3H3.
What are the key properties of N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine?
N-[(5-bromopyrimidin-2-yl)methyl]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine has a molecular weight of 325.21 g/mol, XLogP of 1.79, 5 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]-1-(2-ethyl-5-methyltriazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 146139507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).