4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline

C19H23N5O2 — CID 123162749

IUPAC4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1cc(N2CCOCC2)ncn1)c1cc(OC2(C)CC2)ccc1N
InChIInChI=1S/C19H23N5O2/c1-19(4-5-19)26-13-2-3-15(20)14(10-13)18(21)16-11-17(23-12-22-16)24-6-8-25-9-7-24/h2-3,10-12,21H,4-9,20H2,1H3/b21-18-
InChIKeyFSYCMPFIGWYCAF-UZYVYHOESA-N
MW353.43 g/mol
LogP2.24
Rot. Bonds5

About 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline

4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline (PubChem CID 123162749) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline.

Molecular Properties

Compound Name4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
PubChem CID123162749
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline
SMILES[H]/N=C(\c1cc(N2CCOCC2)ncn1)c1cc(OC2(C)CC2)ccc1N
InChIInChI=1S/C19H23N5O2/c1-19(4-5-19)26-13-2-3-15(20)14(10-13)18(21)16-11-17(23-12-22-16)24-6-8-25-9-7-24/h2-3,10-12,21H,4-9,20H2,1H3/b21-18-
InChIKeyFSYCMPFIGWYCAF-UZYVYHOESA-N
XLogP2.24
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methylcyclopropyl)oxy-2-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboximidoyl]aniline
CID 123709189
2-[6-[(2R)-2-ethynylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 130414072
methyl 4-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 123322073
2-[6-[(3R)-3,5-dimethylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 144694996
2-[6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 130414414
[4-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 123253872
8-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]-1,8-diazaspiro[4.5]decan-2-one
CID 123391746
4-(1-methylcyclopropyl)oxy-2-[6-[3-(2-methylpropyl)morpholin-4-yl]pyrimidine-4-carboximidoyl]aniline
CID 123545233
9-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 123903473
4-(1-methylcyclopropyl)oxy-2-[6-[3-(2-methylpropyl)morpholin-4-yl]pyrimidine-4-carboximidoyl]aniline;molecular hydrogen
CID 144697423
N'-[1-[6-[2-amino-5-(1-methylcyclopropyl)oxybenzenecarboximidoyl]pyrimidin-4-yl]azetidin-3-yl]methanimidamide
CID 123781352
2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidoyl]-4-(1-methylcyclopropyl)oxyaniline
CID 123882125

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline?
The IUPAC name of 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline (CID 123162749) is 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline.
What is the SMILES notation for 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline?
The canonical SMILES for 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline is [H]/N=C(\c1cc(N2CCOCC2)ncn1)c1cc(OC2(C)CC2)ccc1N.
What is the InChIKey of 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline?
The InChIKey is FSYCMPFIGWYCAF-UZYVYHOESA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(4-5-19)26-13-2-3-15(20)14(10-13)18(21)16-11-17(23-12-22-16)24-6-8-25-9-7-24/h2-3,10-12,21H,4-9,20H2,1H3/b21-18-.
What are the key properties of 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline?
4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline has a molecular weight of 353.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopropyl)oxy-2-(6-morpholin-4-ylpyrimidine-4-carboximidoyl)aniline is sourced from PubChem (CID 123162749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).