4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine

C14H17N3O2 — CID 26436569

IUPAC4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H](C)c2ccccc2OC)n1
InChIInChI=1S/C14H17N3O2/c1-10(11-6-4-5-7-12(11)18-2)16-14-15-9-8-13(17-14)19-3/h4-10H,1-3H3,(H,15,16,17)/t10-/m0/s1
InChIKeyRGKMEEAXIWDXRF-JTQLQIEISA-N
MW259.31 g/mol
LogP2.67
Rot. Bonds5

About 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine

4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine (PubChem CID 26436569) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
PubChem CID26436569
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H](C)c2ccccc2OC)n1
InChIInChI=1S/C14H17N3O2/c1-10(11-6-4-5-7-12(11)18-2)16-14-15-9-8-13(17-14)19-3/h4-10H,1-3H3,(H,15,16,17)/t10-/m0/s1
InChIKeyRGKMEEAXIWDXRF-JTQLQIEISA-N
XLogP2.67
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methoxypyrimidin-2-amine
CID 154837636
4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine
CID 56554175
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
CID 112637352
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
4-methoxy-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrimidin-2-amine
CID 95277512
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
3-[1-[(4-methoxypyrimidin-2-yl)amino]ethyl]-N-methylbenzenesulfonamide
CID 133286517
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 42934023

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine (CID 26436569) is 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine is COc1ccnc(N[C@@H](C)c2ccccc2OC)n1.
What is the InChIKey of 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is RGKMEEAXIWDXRF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(11-6-4-5-7-12(11)18-2)16-14-15-9-8-13(17-14)19-3/h4-10H,1-3H3,(H,15,16,17)/t10-/m0/s1.
What are the key properties of 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine?
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 26436569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).