N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine

C13H19N5O — CID 131900895

IUPACN-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
SMILESCOc1ncc(CN(C)CCn2ccnc2C)cn1
InChIInChI=1S/C13H19N5O/c1-11-14-4-5-18(11)7-6-17(2)10-12-8-15-13(19-3)16-9-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyHALSPEWIWSALGQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.12
Rot. Bonds6

About N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine

N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 131900895) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
PubChem CID131900895
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
SMILESCOc1ncc(CN(C)CCn2ccnc2C)cn1
InChIInChI=1S/C13H19N5O/c1-11-14-4-5-18(11)7-6-17(2)10-12-8-15-13(19-3)16-9-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyHALSPEWIWSALGQ-UHFFFAOYSA-N
XLogP1.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(2-methylimidazol-1-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 74243230
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol
CID 70753429
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
5-chloro-2-methoxy-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidin-4-amine
CID 133398235
1-methoxy-3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propan-2-ol
CID 62016741
2-chloro-3-methoxy-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 63387621
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
CID 63759365
3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
CID 91829123
5-ethyl-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 50965256
4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]oxan-4-ol
CID 114952881
3-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]propanimidamide
CID 61493494

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine (CID 131900895) is N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine is COc1ncc(CN(C)CCn2ccnc2C)cn1.
What is the InChIKey of N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is HALSPEWIWSALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-11-14-4-5-18(11)7-6-17(2)10-12-8-15-13(19-3)16-9-12/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine?
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 131900895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).