[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine

C19H24N4O2 — CID 144697206

IUPAC[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine
SMILES[H]/N=C(\c1cccc(OC(C)C)c1)c1cc(N2CCO[C@H](C)C2)ncn1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-16-6-4-5-15(9-16)19(20)17-10-18(22-12-21-17)23-7-8-24-14(3)11-23/h4-6,9-10,12-14,20H,7-8,11H2,1-3H3/b20-19+/t14-/m1/s1
InChIKeyCDJKWXQTAAQEGD-ATQAJOFPSA-N
MW340.43 g/mol
LogP2.91
Rot. Bonds5

About [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine

[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine (PubChem CID 144697206) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine.

Molecular Properties

Compound Name[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine
PubChem CID144697206
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine
SMILES[H]/N=C(\c1cccc(OC(C)C)c1)c1cc(N2CCO[C@H](C)C2)ncn1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-16-6-4-5-15(9-16)19(20)17-10-18(22-12-21-17)23-7-8-24-14(3)11-23/h4-6,9-10,12-14,20H,7-8,11H2,1-3H3/b20-19+/t14-/m1/s1
InChIKeyCDJKWXQTAAQEGD-ATQAJOFPSA-N
XLogP2.91
TPSA71.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 130372406
(3R)-1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 144694465
4-propan-2-yloxy-2-(6-pyrrolidin-1-ylpyrimidine-4-carboximidoyl)aniline
CID 123143355
2-[1-methyl-5-[(2S)-2-methylmorpholin-4-yl]pyrazole-3-carboximidoyl]-4-propan-2-yloxyaniline
CID 144694333
1-[6-(2-amino-5-propan-2-yloxybenzenecarboximidoyl)pyrimidin-4-yl]piperidin-4-ol
CID 123896610
2-[6-(3-methylsulfonylazetidin-1-yl)pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 123922387
5-fluoro-4-(1-imino-3-methyliminopropan-2-yl)-2-[6-(2-methylmorpholin-4-yl)pyrimidine-4-carboximidoyl]aniline
CID 123445599
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
2-[6-[(2R)-2-ethynylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 130414072
7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine
CID 130372462
6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965

Frequently Asked Questions

What is the IUPAC name of [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine?
The IUPAC name of [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine (CID 144697206) is [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine.
What is the SMILES notation for [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine?
The canonical SMILES for [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine is [H]/N=C(\c1cccc(OC(C)C)c1)c1cc(N2CCO[C@H](C)C2)ncn1.
What is the InChIKey of [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine?
The InChIKey is CDJKWXQTAAQEGD-ATQAJOFPSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)25-16-6-4-5-15(9-16)19(20)17-10-18(22-12-21-17)23-7-8-24-14(3)11-23/h4-6,9-10,12-14,20H,7-8,11H2,1-3H3/b20-19+/t14-/m1/s1.
What are the key properties of [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine?
[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine has a molecular weight of 340.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine is sourced from PubChem (CID 144697206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).