5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine

C15H20N4O — CID 95120663

IUPAC5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
SMILESCOc1ccccc1[C@H](C)N(C)Cc1cnc(N)nc1
InChIInChI=1S/C15H20N4O/c1-11(13-6-4-5-7-14(13)20-3)19(2)10-12-8-17-15(16)18-9-12/h4-9,11H,10H2,1-3H3,(H2,16,17,18)/t11-/m0/s1
InChIKeyMOAKPZGPVSQVFR-NSHDSACASA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds5

About 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine

5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine (PubChem CID 95120663) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
PubChem CID95120663
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine
SMILESCOc1ccccc1[C@H](C)N(C)Cc1cnc(N)nc1
InChIInChI=1S/C15H20N4O/c1-11(13-6-4-5-7-14(13)20-3)19(2)10-12-8-17-15(16)18-9-12/h4-9,11H,10H2,1-3H3,(H2,16,17,18)/t11-/m0/s1
InChIKeyMOAKPZGPVSQVFR-NSHDSACASA-N
XLogP2.26
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzonitrile
CID 42957834
1-(2-methoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 42957833
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methylprop-2-yn-1-amine
CID 94407176
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 75482840
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
5-[[1-(2-methoxyphenyl)propan-2-yl-methylamino]methyl]pyridin-2-amine
CID 115984767
(1R)-1-(2-methoxyphenyl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 94104056
3-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 51081765
(1S)-N-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 95787187
(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
CID 94157370
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 51078362

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine (CID 95120663) is 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine is COc1ccccc1[C@H](C)N(C)Cc1cnc(N)nc1.
What is the InChIKey of 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine?
The InChIKey is MOAKPZGPVSQVFR-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(13-6-4-5-7-14(13)20-3)19(2)10-12-8-17-15(16)18-9-12/h4-9,11H,10H2,1-3H3,(H2,16,17,18)/t11-/m0/s1.
What are the key properties of 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine?
5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 95120663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).