4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide

C24H22N4O2 — CID 22143028

IUPAC4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide
SMILESCCC(Nc1nccc(-c2ccc(C(N)=O)cc2)n1)Oc1ccc2ccccc2c1
InChIInChI=1S/C24H22N4O2/c1-2-22(30-20-12-11-16-5-3-4-6-19(16)15-20)28-24-26-14-13-21(27-24)17-7-9-18(10-8-17)23(25)29/h3-15,22H,2H2,1H3,(H2,25,29)(H,26,27,28)
InChIKeyQQSWPQVIDBMYRZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.62
Rot. Bonds7

About 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide

4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide (PubChem CID 22143028) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide
PubChem CID22143028
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide
SMILESCCC(Nc1nccc(-c2ccc(C(N)=O)cc2)n1)Oc1ccc2ccccc2c1
InChIInChI=1S/C24H22N4O2/c1-2-22(30-20-12-11-16-5-3-4-6-19(16)15-20)28-24-26-14-13-21(27-24)17-7-9-18(10-8-17)23(25)29/h3-15,22H,2H2,1H3,(H2,25,29)(H,26,27,28)
InChIKeyQQSWPQVIDBMYRZ-UHFFFAOYSA-N
XLogP4.62
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide
CID 22142652
4-[2-[3-(3-bromophenoxy)propylamino]pyrimidin-4-yl]benzamide
CID 22143006
4-[[4-(4-butylsulfanylphenyl)pyrimidin-2-yl]amino]benzamide
CID 142145636
4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine
CID 70205206
4-[2-[3-[3-(trifluoromethyl)phenoxy]propylamino]pyrimidin-4-yl]benzamide
CID 22142551
3-chloro-4-[(4-phenylpyrimidin-2-yl)amino]benzamide
CID 59588162
(2S)-2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-4-methylpentanoic acid
CID 122050014
4-[[4-(4-pyrrol-1-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 58599454
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-3-methylbutan-1-ol
CID 171989257
4-[2-[2-(2-oxo-1,3-benzodioxol-5-yl)ethylamino]pyrimidin-4-yl]benzamide
CID 174426757
4-[2-[3-(5,6-dichloro-1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]benzamide;4-[2-[3-(3,4-dichlorophenoxy)propylamino]pyrimidin-4-yl]benzamide
CID 161353599

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide?
The IUPAC name of 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide (CID 22143028) is 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide is CCC(Nc1nccc(-c2ccc(C(N)=O)cc2)n1)Oc1ccc2ccccc2c1.
What is the InChIKey of 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide?
The InChIKey is QQSWPQVIDBMYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-22(30-20-12-11-16-5-3-4-6-19(16)15-20)28-24-26-14-13-21(27-24)17-7-9-18(10-8-17)23(25)29/h3-15,22H,2H2,1H3,(H2,25,29)(H,26,27,28).
What are the key properties of 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide?
4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 22143028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).