N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine

C16H22N4 — CID 74231773

IUPACN-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine
SMILESCC(C)c1ncc(CN(C)CCc2ccncc2)cn1
InChIInChI=1S/C16H22N4/c1-13(2)16-18-10-15(11-19-16)12-20(3)9-6-14-4-7-17-8-5-14/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3
InChIKeyVJARQXQERGSTAA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.67
Rot. Bonds6

About N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine

N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 74231773) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine
PubChem CID74231773
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine
SMILESCC(C)c1ncc(CN(C)CCc2ccncc2)cn1
InChIInChI=1S/C16H22N4/c1-13(2)16-18-10-15(11-19-16)12-20(3)9-6-14-4-7-17-8-5-14/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3
InChIKeyVJARQXQERGSTAA-UHFFFAOYSA-N
XLogP2.67
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 86815162
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514
2-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]phenol
CID 142098901
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 54945558
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 75504441

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine (CID 74231773) is N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine is CC(C)c1ncc(CN(C)CCc2ccncc2)cn1.
What is the InChIKey of N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is VJARQXQERGSTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(2)16-18-10-15(11-19-16)12-20(3)9-6-14-4-7-17-8-5-14/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3.
What are the key properties of N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine?
N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 74231773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).