4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine

C19H26N4O2 — CID 97089026

IUPAC4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCC2(N[C@H](C)c3ccccc3)CCOCC2)n1
InChIInChI=1S/C19H26N4O2/c1-15(16-6-4-3-5-7-16)23-19(9-12-25-13-10-19)14-21-18-20-11-8-17(22-18)24-2/h3-8,11,15,23H,9-10,12-14H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyBFWIZISFWCZADQ-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.80
Rot. Bonds7

About 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine

4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine (PubChem CID 97089026) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine
PubChem CID97089026
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCC2(N[C@H](C)c3ccccc3)CCOCC2)n1
InChIInChI=1S/C19H26N4O2/c1-15(16-6-4-3-5-7-16)23-19(9-12-25-13-10-19)14-21-18-20-11-8-17(22-18)24-2/h3-8,11,15,23H,9-10,12-14H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyBFWIZISFWCZADQ-OAHLLOKOSA-N
XLogP2.80
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
CID 133345750
N-[4-(chloromethyl)oxan-4-yl]-4-methoxypyrimidin-2-amine
CID 106300153
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
CID 80507401
2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460771
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
CID 131951741
4-[[(4-ethoxy-3-methoxyphenyl)methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
CID 75494224
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
CID 115457088
N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 104762705
N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
CID 114125798
4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine
CID 133491901

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine (CID 97089026) is 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine is COc1ccnc(NCC2(N[C@H](C)c3ccccc3)CCOCC2)n1.
What is the InChIKey of 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is BFWIZISFWCZADQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(16-6-4-3-5-7-16)23-19(9-12-25-13-10-19)14-21-18-20-11-8-17(22-18)24-2/h3-8,11,15,23H,9-10,12-14H2,1-2H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine?
4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 342.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97089026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).