5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine

C18H24N4O2 — CID 46962866

IUPAC5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2cnc(N)nc2)CC2CCCO2)cc1
InChIInChI=1S/C18H24N4O2/c1-23-16-6-4-14(5-7-16)11-22(13-17-3-2-8-24-17)12-15-9-20-18(19)21-10-15/h4-7,9-10,17H,2-3,8,11-13H2,1H3,(H2,19,20,21)
InChIKeyFDZBPINPRJVQOJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds7

About 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine

5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine (PubChem CID 46962866) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
PubChem CID46962866
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
SMILESCOc1ccc(CN(Cc2cnc(N)nc2)CC2CCCO2)cc1
InChIInChI=1S/C18H24N4O2/c1-23-16-6-4-14(5-7-16)11-22(13-17-3-2-8-24-17)12-15-9-20-18(19)21-10-15/h4-7,9-10,17H,2-3,8,11-13H2,1H3,(H2,19,20,21)
InChIKeyFDZBPINPRJVQOJ-UHFFFAOYSA-N
XLogP2.25
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 92595723
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[(4-methoxyphenyl)methyl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 171670365
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818718
N-[(2,5-dimethoxyphenyl)methyl]-N-[(2-ethylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497332
2-methoxy-5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818704
N-[(4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine
CID 125177897
3-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 46954495
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
5-[[(3,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N-methylpyrimidin-2-amine
CID 16677248
5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899271
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]methanamine
CID 46954471

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine (CID 46962866) is 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine is COc1ccc(CN(Cc2cnc(N)nc2)CC2CCCO2)cc1.
What is the InChIKey of 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine?
The InChIKey is FDZBPINPRJVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-16-6-4-14(5-7-16)11-22(13-17-3-2-8-24-17)12-15-9-20-18(19)21-10-15/h4-7,9-10,17H,2-3,8,11-13H2,1H3,(H2,19,20,21).
What are the key properties of 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine?
5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 46962866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).